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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)CCC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)CCC3=CC=CC=C3OC

InChI

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