methyl 4-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]-1,2-thiazole-3-carboxylate

Systemtic Name: methyl 4-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]-1,2-thiazole-3-carboxylate Openeye Name: methyl 4-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]isothiazole-3-carboxylate CAS Name: 4-[(E)-3-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]-3-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]-1,2-thiazole-3-carboxylate Traditional Name: 4-[(E)-3-(2-p-toluoylpyrrol-1-yl)prop-1-enyl]isothiazole-3-carboxylic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC=CC3=CSN=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2C/C=C/C3=CSN=C3C(=O)OC

InChI

InChI=1S/C20H18N2O3S/c1-14-7-9-15(10-8-14)19(23)17-6-4-12-22(17)11-3-5-16-13-26-21-18(16)20(24)25-2/h3-10,12-13H,11H2,1-2H3/b5-3+