[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(2-furoylamino)-4-(methylthio)butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)C2=CC=CO2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H17N3O5S2/c1-26-7-5-12(19-15(22)13-3-2-6-24-13)17(23)25-10-14(21)20-16-11(9-18)4-8-27-16/h2-4,6,8,12H,5,7,10H2,1H3,(H,19,22)(H,20,21)