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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H23NO3S MolecularWeight: 393.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO3S/c1-5-11-24-16(3)13-20(17(24)4)21(25)14-27-23(26)22-19(10-12-28-22)18-8-6-15(2)7-9-18/h5-10,12-13H,1,11,14H2,2-4H3