ethyl 2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-cyanophenyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-cyanophenyl)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-cyanophenyl)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCOC(=O)CSCC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H13NO3S/c1-2-17-13(16)9-18-8-12(15)11-5-3-10(7-14)4-6-11/h3-6H,2,8-9H2,1H3