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

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H20N2O4S/c1-14-6-3-7-15(2)20(14)24-19(25)13-28-22(27)16-8-4-9-17(12-16)23-21(26)18-10-5-11-29-18/h3-12H,13H2,1-2H3,(H,23,26)(H,24,25)