[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C19H23NO5S2/c1-12(2)18(20-27(23,24)15-8-5-13(3)6-9-15)19(22)25-11-16(21)17-10-7-14(4)26-17/h5-10,12,18,20H,11H2,1-4H3/t18-/m0/s1