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

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic 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] (2R)-2-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)[C@@H](C)OC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-15-12-20(16(2)23(15)13-19-10-7-11-28-19)21(24)14-26-22(25)17(3)27-18-8-5-4-6-9-18/h4-12,17H,13-14H2,1-3H3/t17-/m1/s1