[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C17H13ClN2O3S/c1-24-12-6-7-14(18)13(8-12)17(22)23-10-16(21)20-15-5-3-2-4-11(15)9-19/h2-8H,10H2,1H3,(H,20,21)