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

Systemtic Name: methyl 3-[2-(azepan-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(azepan-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(1-azepanyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(azepan-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(azepan-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-19-14(18)13-11(6-9-20-13)15-12(17)10-16-7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,15,17)