ethyl 4-[2-(4-chlorophenyl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[[2-[(4-chlorophenyl)thio]acetyl]-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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