[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H18N2O4S/c1-12-9-16(13(2)21-12)17(23)11-26-20(25)14-5-3-6-15(10-14)22-19(24)18-7-4-8-27-18/h3-10,21H,11H2,1-2H3,(H,22,24)