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

Systemtic Name: propyl 4-[(4-butylsulfanylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[4-butylsulfanyl-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(butylthio)-N-(cyanomethyl)anilino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[4-butylsulfanyl-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(butylthio)-N-(cyanomethyl)anilino]-4-keto-butyric acid propyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OCCC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OCCC

InChI

InChI=1S/C19H26N2O3S/c1-3-5-15-25-17-8-6-16(7-9-17)21(13-12-20)18(22)10-11-19(23)24-14-4-2/h6-9H,3-5,10-11,13-15H2,1-2H3