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

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3S/c21-16-7-9-17(10-8-16)27-13-3-6-20(25)26-12-11-19(24)23-18-5-2-1-4-15(18)14-22/h1-2,4-5,7-10H,3,6,11-13H2,(H,23,24)