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

Systemtic Name: methyl 3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-cyanoanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-18-13(17)5-6-19-9-12(16)15-11-4-2-3-10(7-11)8-14/h2-4,7H,5-6,9H2,1H3,(H,15,16)