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

Systemtic Name: methyl 3-[4-[(3-cyanophenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(3-cyanoanilino)-4-oxo-butyl]sulfanylpropanoate CAS Name: 3-[[4-(3-cyanoanilino)-4-oxobutyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylpropanoate Traditional Name: 3-[[4-(3-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=CC(=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-20-15(19)7-9-21-8-3-6-14(18)17-13-5-2-4-12(10-13)11-16/h2,4-5,10H,3,6-9H2,1H3,(H,17,18)