[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C19H17ClN2O3S/c20-15-6-8-17(9-7-15)26-10-2-5-19(24)25-13-18(23)22-16-4-1-3-14(11-16)12-21/h1,3-4,6-9,11H,2,5,10,13H2,(H,22,23)