methyl 3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCCCCC2=O

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C14H18N2O4S/c1-20-14(19)13-10(6-8-21-13)15-11(17)9-16-7-4-2-3-5-12(16)18/h6,8H,2-5,7,9H2,1H3,(H,15,17)