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

Systemtic Name: ethyl 3-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-3-31-24(29)17-5-4-6-19(13-17)26-22(28)15-32-23-18(14-25)9-12-21(27-23)16-7-10-20(30-2)11-8-16/h4-13H,3,15H2,1-2H3,(H,26,28)