[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H16N2O4S2/c1-25-14-4-2-12(3-5-14)15(21)6-7-17(23)24-11-16(22)20-18-13(10-19)8-9-26-18/h2-5,8-9H,6-7,11H2,1H3,(H,20,22)