[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic 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] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-14-11-18(15(2)22(14)12-17-9-6-10-27-17)19(23)13-26-21(25)20(24)16-7-4-3-5-8-16/h3-11,20,24H,12-13H2,1-2H3/t20-/m0/s1