[4-[(E)-2-[(3-benzyl-7-thia-3,9-diazabicyclo[4.3.0]nona-8,10-dien-8-yl)carbamoyl]-2-cyano-ethenyl]phenyl] 4-methylbenzoate

Molecular Formula: C31H26N4O3S


InChI: InChI=1/C31H26N4O3S/c1-21-7-11-24(12-8-21)30(37)38-26-13-9-22(10-14-26)17-25(18-32)29(36)34-31-33-27-20-35(16-15-28(27)39-31)19-23-5-3-2-4-6-23/h2-14,17H,15-16,19-20H2,1H3,(H,33,34,36)/b25-17+/f/h34H

InChIKey: InChIKey=ZBSDLCMPIIXVCA-IKHYVUAHDM
SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=NC4=C(S3)CCN(C4)CC5=CC=CC=C5

Names:
    [4-[(E)-2-[(3-benzyl-7-thia-3,9-diazabicyclo[4.3.0]nona-8,10-dien-8-yl)carbamoyl]-2-cyano-ethenyl]phenyl] 4-methylbenzoate

Registries:
    PubChem CID 2327803
    PubChem ID 11556173