propyl 4-[cyanomethyl-(4-propylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[cyanomethyl-(4-propylsulfanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[N-(cyanomethyl)-4-propylsulfanyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(cyanomethyl)-4-(propylthio)anilino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[N-(cyanomethyl)-4-propylsulfanylanilino]-4-oxobutanoate Traditional Name: 4-[N-(cyanomethyl)-4-(propylthio)anilino]-4-keto-butyric acid propyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)N(CC#N)C1=CC=C(C=C1)SCCC

Isomeric SMILES

CCCOC(=O)CCC(=O)N(CC#N)C1=CC=C(C=C1)SCCC

InChI

InChI=1S/C18H24N2O3S/c1-3-13-23-18(22)10-9-17(21)20(12-11-19)15-5-7-16(8-6-15)24-14-4-2/h5-8H,3-4,9-10,12-14H2,1-2H3