ethyl 2-(4-methoxyphenyl)-2-(2-pyrrol-1-ylphenyl)sulfanyl-ethanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)-2-(2-pyrrol-1-ylphenyl)sulfanyl-ethanoate Openeye Name: ethyl 2-(4-methoxyphenyl)-2-(2-pyrrol-1-ylphenyl)sulfanyl-acetate CAS Name: 2-(4-methoxyphenyl)-2-[[2-(1-pyrrolyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)-2-(2-pyrrol-1-ylphenyl)sulfanylacetate Traditional Name: 2-(4-methoxyphenyl)-2-[(2-pyrrol-1-ylphenyl)thio]acetic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-3-25-21(23)20(16-10-12-17(24-2)13-11-16)26-19-9-5-4-8-18(19)22-14-6-7-15-22/h4-15,20H,3H2,1-2H3