[4-acetyloxy-3-[[1,5-bis(oxidanylidene)-2H-2,4-benzodiazepin-3-yl]sulfanyl]phenyl] ethanoate

Systemtic Name: [4-acetyloxy-3-[[1,5-bis(oxidanylidene)-2H-2,4-benzodiazepin-3-yl]sulfanyl]phenyl] ethanoate Openeye Name: [4-acetoxy-3-[(1,5-dioxo-2H-2,4-benzodiazepin-3-yl)sulfanyl]phenyl] acetate CAS Name: acetic acid [4-acetyloxy-3-[(1,5-dioxo-2H-2,4-benzodiazepin-3-yl)thio]phenyl] ester IUPAC Name: [4-acetyloxy-3-[(1,5-dioxo-2H-2,4-benzodiazepin-3-yl)sulfanyl]phenyl] acetate Traditional Name: acetic acid [4-acetoxy-3-[(1,5-diketo-2H-2,4-benzodiazepin-3-yl)thio]phenyl] ester Formula: C19H14N2O6S MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)OC(=O)C)SC2=NC(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)OC(=O)C)SC2=NC(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C19H14N2O6S/c1-10(22)26-12-7-8-15(27-11(2)23)16(9-12)28-19-20-17(24)13-5-3-4-6-14(13)18(25)21-19/h3-9H,1-2H3,(H,20,21,24,25)