[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-15-9-10-19(24-12-15)25-20(26)13-28-21(27)16-6-2-4-8-18(16)29-17-7-3-1-5-14(17)11-23/h1-10,12H,13H2,(H,24,25,26)