[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

InChI

InChI=1S/C23H25NO4S/c1-16-6-4-7-19(12-16)27-10-9-23(26)28-15-22(25)21-13-17(2)24(18(21)3)14-20-8-5-11-29-20/h4-8,11-13H,9-10,14-15H2,1-3H3