3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzothiophene-2-carboxylic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)CC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H20N2O2S/c1-17-7-4-8-18(10-9-17)11-13-12-5-2-3-6-14(12)21-15(13)16(19)20/h2-3,5-6H,4,7-11H2,1H3,(H,19,20)