ethyl 2-(4-methyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-(4-methyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-(4-methyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-acetate CAS Name: 2-[[4-methyl-2-(1-pyrrolyl)phenyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(4-methyl-2-pyrrol-1-ylphenyl)sulfanyl-2-phenylacetate Traditional Name: 2-[(4-methyl-2-pyrrol-1-yl-phenyl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=C(C=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=C(C=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C21H21NO2S/c1-3-24-21(23)20(17-9-5-4-6-10-17)25-19-12-11-16(2)15-18(19)22-13-7-8-14-22/h4-15,20H,3H2,1-2H3