methyl 2-[2-(azepan-1-yl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(azepan-1-yl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCCCCC2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCCCCC2)C(=O)OC

InChI

InChI=1S/C16H24N2O3S/c1-3-12-10-13(16(20)21-2)15(22-12)17-14(19)11-18-8-6-4-5-7-9-18/h10H,3-9,11H2,1-2H3,(H,17,19)