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

Systemtic Name: [2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClNO3S/c1-14-9-11-28-21(14)22(26)27-13-20(25)19-12-15(2)24(16(19)3)10-8-17-4-6-18(23)7-5-17/h4-7,9,11-12H,8,10,13H2,1-3H3