methyl 2-(benzimidazol-1-yl)-4-[(2-methyl-2-nitrososulfanyl-propyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-(benzimidazol-1-yl)-4-[(2-methyl-2-nitrososulfanyl-propyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 2-(benzimidazol-1-yl)-4-[benzyl-(2-methyl-2-nitrososulfanyl-propyl)amino]-4-oxo-butanoate CAS Name: 2-(1-benzimidazolyl)-4-[[2-methyl-2-(nitrosothio)propyl]-(phenylmethyl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(benzimidazol-1-yl)-4-[benzyl-(2-methyl-2-nitrososulfanylpropyl)amino]-4-oxobutanoate Traditional Name: 2-(benzimidazol-1-yl)-4-[benzyl-[2-methyl-2-(nitrosothio)propyl]amino]-4-keto-butyric acid methyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(CC1=CC=CC=C1)C(=O)CC(C(=O)OC)N2C=NC3=CC=CC=C32)SN=O

Isomeric SMILES

CC(C)(CN(CC1=CC=CC=C1)C(=O)CC(C(=O)OC)N2C=NC3=CC=CC=C32)SN=O

InChI

InChI=1S/C23H26N4O4S/c1-23(2,32-25-30)15-26(14-17-9-5-4-6-10-17)21(28)13-20(22(29)31-3)27-16-24-18-11-7-8-12-19(18)27/h4-12,16,20H,13-15H2,1-3H3