[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C19H22N2O4S/c1-12-6-4-7-13(2)17(12)21-18(23)14(3)25-16(22)9-10-20-19(24)15-8-5-11-26-15/h4-8,11,14H,9-10H2,1-3H3,(H,20,24)(H,21,23)