ethyl 4-[3-[2-(4-chlorophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[2-(4-chlorophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(4-chlorophenyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H22ClNO3S/c1-4-28-23(27)17-5-9-19(10-6-17)25-15(2)13-21(16(25)3)22(26)14-29-20-11-7-18(24)8-12-20/h5-13H,4,14H2,1-3H3