methyl-[2-[[4-[(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-1,3,5-trien-8-ylidene)methyl]benzoyl]amino]ethyl]-phenethyl-azanium
Molecular Formula:
C27H28N3O2S+
InChI: InChI=1/C27H27N3O2S/c1-30(17-15-20-7-3-2-4-8-20)18-16-28-26(31)22-13-11-21(12-14-22)19-25-27(32)29-23-9-5-6-10-24(23)33-25/h2-14,19H,15-18H2,1H3,(H,28,31)(H,29,32)/p+1/fC27H28N3O2S/h28-30H/q+1
InChIKey: InChIKey=YLCXMCZIONKLSV-QKQWKDLKCL
SMILES: C[NH+](CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3
Names:
methyl-[2-[[4-[(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-1,3,5-trien-8-ylidene)methyl]benzoyl]amino]ethyl]-phenethyl-azanium
Registries:
PubChem CID 4112785
PubChem ID 6039137
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