[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C21H21N3O4S/c1-14-5-6-15(2)24(14)17-9-7-16(8-10-17)20(26)28-13-19(25)23-21(27)22-12-18-4-3-11-29-18/h3-11H,12-13H2,1-2H3,(H2,22,23,25,27)