methyl 3-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-cyanoanilino)-3-oxo-propyl]sulfanylpropanoate CAS Name: 3-[[3-(2-cyanoanilino)-3-oxopropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-cyanoanilino)-3-oxopropyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-cyanoanilino)-3-keto-propyl]thio]propionic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCC(=O)NC1=CC=CC=C1C#N

Isomeric SMILES

COC(=O)CCSCCC(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C14H16N2O3S/c1-19-14(18)7-9-20-8-6-13(17)16-12-5-3-2-4-11(12)10-15/h2-5H,6-9H2,1H3,(H,16,17)