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

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-methylsulfanylbenzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-24-15-8-6-13(7-9-15)18(22)23-11-10-17(21)20-16-5-3-2-4-14(16)12-19/h2-9H,10-11H2,1H3,(H,20,21)