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

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(3-oxopiperazin-1-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(3-oxo-1-piperazinyl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(3-oxopiperazin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(3-ketopiperazino)methyl]benzothiophene-2-carboxylic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c17-12-8-16(6-5-15-12)7-10-9-3-1-2-4-11(9)20-13(10)14(18)19/h1-4H,5-8H2,(H,15,17)(H,18,19)