[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C22H23NO4S/c1-15-12-20(16(2)23(15)10-9-19-4-3-11-28-19)21(25)14-27-22(26)18-7-5-17(13-24)6-8-18/h3-8,11-12,24H,9-10,13-14H2,1-2H3