ethyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC#N)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC#N)C(=O)OCC

InChI

InChI=1S/C13H16N2O3S2/c1-3-9-7-10(13(17)18-4-2)12(20-9)15-11(16)8-19-6-5-14/h7H,3-4,6,8H2,1-2H3,(H,15,16)