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

Systemtic Name: ethyl 4-[[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: ethyl 4-[[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetyl]amino]methyl]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)CNC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H25N3O3S/c1-2-36-30(35)24-15-13-21(14-16-24)19-32-28(34)20-37-29-26(18-31)25(22-9-5-3-6-10-22)17-27(33-29)23-11-7-4-8-12-23/h3-17H,2,19-20H2,1H3,(H,32,34)