[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S/c1-16-13-20(17(2)23(16)18-9-5-3-6-10-18)21(24)14-26-22(25)15-27-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3