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

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic 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-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric 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:

CCC(C(=O)OCC(=O)C1=C(N(C(=C1)C)CC2=CC=CS2)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)C1=C(N(C(=C1)C)CC2=CC=CS2)C)OC3=CC=CC=C3

InChI

InChI=1S/C23H25NO4S/c1-4-22(28-18-9-6-5-7-10-18)23(26)27-15-21(25)20-13-16(2)24(17(20)3)14-19-11-8-12-29-19/h5-13,22H,4,14-15H2,1-3H3/t22-/m1/s1