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

Systemtic Name: 2-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]thio]benzoate Formula: C19H17N2O4S- MolecularWeight: 369.41428

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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

C[C@H]1CC(=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)/p-1/t12-/m0/s1