(2-oxidanylidene-2-thiophen-2-yl-ethyl) (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H18ClNO5S2 MolecularWeight: 415.91152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO5S2/c1-11(2)16(17(21)24-10-14(20)15-7-4-8-25-15)19-26(22,23)13-6-3-5-12(18)9-13/h3-9,11,16,19H,10H2,1-2H3/t16-/m0/s1