ethyl 2-[2-(azepan-1-yl)ethanoylamino]-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(azepan-1-yl)ethanoylamino]-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-7-keto-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CN3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CN3CCCCCC3

InChI

InChI=1S/C19H26N2O4S/c1-2-25-19(24)16-13-8-7-9-14(22)17(13)26-18(16)20-15(23)12-21-10-5-3-4-6-11-21/h2-12H2,1H3,(H,20,23)