(2-oxidanylideneazepan-3-yl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (2-oxoazepan-3-yl) 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC3CCCCNC3=O

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC3CCCCNC3=O

InChI

InChI=1S/C17H22N2O4S/c1-10(20)19-16-14(11-6-2-3-8-13(11)24-16)17(22)23-12-7-4-5-9-18-15(12)21/h12H,2-9H2,1H3,(H,18,21)(H,19,20)