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

Systemtic Name: methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c1-17-12(16)8-18-7-11(15)14-10-4-2-3-9(5-10)6-13/h2-5H,7-8H2,1H3,(H,14,15)