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

Systemtic Name: methyl 2-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate Openeye Name: methyl 2-[3-(2-cyanoanilino)-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-(2-cyanoanilino)-3-oxopropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-cyanoanilino)-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-(2-cyanoanilino)-3-keto-propyl]thio]acetic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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