ethyl 4-[2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H25N3O3S/c1-3-36-30(35)23-13-15-24(16-14-23)32-28(34)19-37-29-26(18-31)25(21-7-5-4-6-8-21)17-27(33-29)22-11-9-20(2)10-12-22/h4-17H,3,19H2,1-2H3,(H,32,34)