[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] thiophene-3-carboxylate

Systemtic Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] thiophene-3-carboxylate Openeye Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-[1-(4-carbomethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3=CSC=C3

InChI

InChI=1S/C21H19NO5S/c1-13-10-18(19(23)11-27-21(25)16-8-9-28-12-16)14(2)22(13)17-6-4-15(5-7-17)20(24)26-3/h4-10,12H,11H2,1-3H3