[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(2,6-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)C)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

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

InChI

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