ethyl 2-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-1-sulfanyl-prop-1-enyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-1-sulfanyl-prop-1-enyl]sulfanylethanoate Openeye Name: ethyl 2-[(E)-3-anilino-2-cyano-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylacetate CAS Name: 2-[[(E)-3-anilino-2-cyano-1-mercapto-3-oxoprop-1-enyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-3-anilino-2-cyano-3-oxo-1-sulfanylprop-1-enyl]sulfanylacetate Traditional Name: 2-[[(E)-3-anilino-2-cyano-3-keto-1-mercapto-prop-1-enyl]thio]acetic acid ethyl ester Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=C(C#N)C(=O)NC1=CC=CC=C1)S

Isomeric SMILES

CCOC(=O)CS/C(=C(\C#N)/C(=O)NC1=CC=CC=C1)/S

InChI

InChI=1S/C14H14N2O3S2/c1-2-19-12(17)9-21-14(20)11(8-15)13(18)16-10-6-4-3-5-7-10/h3-7,20H,2,9H2,1H3,(H,16,18)/b14-11+