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

Systemtic Name: ethyl 4-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C29H23N3O3S MolecularWeight: 493.57622

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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=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H23N3O3S/c1-2-35-29(34)22-13-15-23(16-14-22)31-27(33)19-36-28-25(18-30)24(20-9-5-3-6-10-20)17-26(32-28)21-11-7-4-8-12-21/h3-17H,2,19H2,1H3,(H,31,33)