ethyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSCC#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSCC#N

InChI

InChI=1S/C15H20N2O3S2/c1-4-20-15(19)13-11(7-10(2)3)8-22-14(13)17-12(18)9-21-6-5-16/h8,10H,4,6-7,9H2,1-3H3,(H,17,18)