[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2)C

InChI

InChI=1S/C20H24N2O4S/c1-12(2)18(22-19(24)16-9-6-10-27-16)20(25)26-11-17(23)21-15-8-5-7-13(3)14(15)4/h5-10,12,18H,11H2,1-4H3,(H,21,23)(H,22,24)/t18-/m0/s1