methyl 3-[4-[(4-cyanophenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(4-cyanoanilino)-4-oxo-butyl]sulfanylpropanoate CAS Name: 3-[[4-(4-cyanoanilino)-4-oxobutyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-cyanoanilino)-4-oxobutyl]sulfanylpropanoate Traditional Name: 3-[[4-(4-cyanoanilino)-4-keto-butyl]thio]propionic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCCC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

COC(=O)CCSCCCC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H18N2O3S/c1-20-15(19)8-10-21-9-2-3-14(18)17-13-6-4-12(11-16)5-7-13/h4-7H,2-3,8-10H2,1H3,(H,17,18)