[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(5-chloro-2-thienyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H13ClN2O3S2 MolecularWeight: 332.82622

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)CSCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=C(SC(=C1)Cl)CSCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H13ClN2O3S2/c13-10-3-2-9(20-10)7-19-8-12(17)18-6-11(16)15-5-1-4-14/h2-3H,1,5-8H2,(H,15,16)