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

Systemtic Name: ethyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanyl-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-(methylthio)butyric acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-24-18(23)15(20-13(2)22)12-17(25-3)21-16-10-6-5-8-14(16)9-7-11-19-21/h5-11,15,17H,4,12H2,1-3H3,(H,20,22)