8-(furan-2-ylmethylsulfanyl)-2-thiophen-3-yl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Systemtic Name: 8-(furan-2-ylmethylsulfanyl)-2-thiophen-3-yl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Openeye Name: 8-(2-furylmethylsulfanyl)-2-(3-thienyl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione CAS Name: 8-(2-furanylmethylthio)-2-(3-thiophenyl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione IUPAC Name: 8-(furan-2-ylmethylsulfanyl)-2-thiophen-3-yl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Traditional Name: 8-(2-furfurylthio)-2-(3-thienyl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN2C1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CSC=C4)SCC5=CC=CO5

Isomeric SMILES

C1C(CN2C1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CSC=C4)SCC5=CC=CO5

InChI

InChI=1S/C21H18N2O3S2/c24-20-19-9-16(28-12-15-2-1-6-26-15)10-23(19)21(25)17-8-13(3-4-18(17)22-20)14-5-7-27-11-14/h1-8,11,16,19H,9-10,12H2,(H,22,24)