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

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C18H20N2O4S/c1-12-4-3-5-13(2)17(12)20-15(21)10-24-16(22)6-8-19-18(23)14-7-9-25-11-14/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,19,23)(H,20,21)