2-[[1-(3-chlorophenyl)-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1-(3-chlorophenyl)-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]sulfanyl]ethanoate Openeye Name: 2-[[1-(3-chlorophenyl)-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]sulfanyl]acetate CAS Name: 2-[[1-(3-chlorophenyl)-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]thio]acetate IUPAC Name: 2-[[1-(3-chlorophenyl)-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]sulfanyl]acetate Traditional Name: 2-[[1-(3-chlorophenyl)-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]thio]acetate Formula: C19H16ClN2O4S- MolecularWeight: 403.85934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=NN=C2C3=CC(=CC=C3)Cl)SCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(=NN=C2C3=CC(=CC=C3)Cl)SCC(=O)[O-])OC

InChI

InChI=1S/C19H17ClN2O4S/c1-25-15-7-12-8-17(27-10-18(23)24)21-22-19(14(12)9-16(15)26-2)11-4-3-5-13(20)6-11/h3-7,9H,8,10H2,1-2H3,(H,23,24)/p-1