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

Systemtic Name: ethyl 2-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylethanoate Openeye Name: ethyl 2-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylacetate CAS Name: 2-[[(E)-2-cyano-1-mercapto-3-(4-methylanilino)-3-oxoprop-1-enyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-1-sulfanylprop-1-enyl]sulfanylacetate Traditional Name: 2-[[(E)-2-cyano-3-keto-1-mercapto-3-(p-toluidino)prop-1-enyl]thio]acetic acid ethyl ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S2/c1-3-20-13(18)9-22-15(21)12(8-16)14(19)17-11-6-4-10(2)5-7-11/h4-7,21H,3,9H2,1-2H3,(H,17,19)/b15-12+