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

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C20H23NO4S/c1-12(2)18(21-19(23)15-8-6-5-7-13(15)3)20(24)25-11-16(22)17-10-9-14(4)26-17/h5-10,12,18H,11H2,1-4H3,(H,21,23)/t18-/m0/s1