ethyl 4-[2-(4-chlorophenyl)sulfanylethanoyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylethanoyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[[2-[(4-chlorophenyl)thio]acetyl]-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O3S/c1-2-29-23(28)18-3-7-20(8-4-18)26(15-17-11-13-25-14-12-17)22(27)16-30-21-9-5-19(24)6-10-21/h3-14H,2,15-16H2,1H3