2-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]thio]benzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N2O4S/c1-12-10-17(22)20-14-7-3-4-8-15(14)21(12)18(23)11-26-16-9-5-2-6-13(16)19(24)25/h2-9,12H,10-11H2,1H3,(H,20,22)(H,24,25)