ethyl 2-[(E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylethanoate Openeye Name: ethyl 2-[(E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylacetate CAS Name: 2-[[(E)-3-(4-chloroanilino)-2-cyano-1-mercapto-3-oxoprop-1-enyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-sulfanylprop-1-enyl]sulfanylacetate Traditional Name: 2-[[(E)-3-(4-chloroanilino)-2-cyano-3-keto-1-mercapto-prop-1-enyl]thio]acetic acid ethyl ester Formula: C14H13ClN2O3S2 MolecularWeight: 356.84762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O3S2/c1-2-20-12(18)8-22-14(21)11(7-16)13(19)17-10-5-3-9(15)4-6-10/h3-6,21H,2,8H2,1H3,(H,17,19)/b14-11+