(2-oxidanylidene-2-thiophen-2-yl-ethyl) (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H17Cl2NO4S MolecularWeight: 414.30288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO4S/c1-10(2)16(18(24)25-9-14(22)15-4-3-7-26-15)21-17(23)12-6-5-11(19)8-13(12)20/h3-8,10,16H,9H2,1-2H3,(H,21,23)/t16-/m0/s1