methyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-(methylthio)butyric acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(N1C2=CC=CC=C2C=CC=N1)SC)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC(N1C2=CC=CC=C2C=CC=N1)SC)C(=O)OC

InChI

InChI=1S/C17H21N3O3S/c1-12(21)19-14(17(22)23-2)11-16(24-3)20-15-9-5-4-7-13(15)8-6-10-18-20/h4-10,14,16H,11H2,1-3H3,(H,19,21)