[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CS3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C21H22N2O3S/c1-14-6-7-15(2)23(14)18-10-8-17(9-11-18)21(25)26-16(3)20(24)22-13-19-5-4-12-27-19/h4-12,16H,13H2,1-3H3,(H,22,24)