[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H20N2O4S/c1-28-17-8-6-15(7-9-17)19(24)10-11-21(26)27-13-12-20(25)23-18-5-3-2-4-16(18)14-22/h2-9H,10-13H2,1H3,(H,23,25)