3-[(2-oxidanylideneazepan-1-yl)methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(2-oxidanylideneazepan-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(2-oxoazepan-1-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(2-oxo-1-azepanyl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(2-oxoazepan-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(2-ketoazepan-1-yl)methyl]benzothiophene-2-carboxylic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H17NO3S/c18-14-8-2-1-5-9-17(14)10-12-11-6-3-4-7-13(11)21-15(12)16(19)20/h3-4,6-7H,1-2,5,8-10H2,(H,19,20)