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

Systemtic Name: ethyl 4-[2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C31H27N3O5S MolecularWeight: 553.62818

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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=CC=C3)C4=CC(=C(C=C4)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H27N3O5S/c1-4-39-31(36)21-10-13-23(14-11-21)33-29(35)19-40-30-25(18-32)24(17-26(34-30)20-8-6-5-7-9-20)22-12-15-27(37-2)28(16-22)38-3/h5-17H,4,19H2,1-3H3,(H,33,35)