[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1CCCCCC1)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N1CCCCCC1)C2=CC=CS2

InChI

InChI=1S/C17H24N2O4S/c1-13(20)18-14(15-7-6-10-24-15)11-17(22)23-12-16(21)19-8-4-2-3-5-9-19/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,18,20)