methyl 4-[4-aminocarbonyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CS2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CS2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

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