[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H16ClN3O3S/c23-17-9-10-20(25-12-17)26-21(27)13-29-22(28)18-3-1-2-4-19(18)30-14-16-7-5-15(11-24)6-8-16/h1-10,12H,13-14H2,(H,25,26,27)