3-ethyl-4-piperazin-1-yl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-ethyl-4-piperazin-1-yl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-ethyl-4-piperazin-1-yl-benzothiophene-2-carboxylic acid CAS Name: 3-ethyl-4-(1-piperazinyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-ethyl-4-piperazin-1-yl-1-benzothiophene-2-carboxylic acid Traditional Name: 3-ethyl-4-piperazino-benzothiophene-2-carboxylic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC(=C21)N3CCNCC3)C(=O)O

Isomeric SMILES

CCC1=C(SC2=CC=CC(=C21)N3CCNCC3)C(=O)O

InChI

InChI=1S/C15H18N2O2S/c1-2-10-13-11(17-8-6-16-7-9-17)4-3-5-12(13)20-14(10)15(18)19/h3-5,16H,2,6-9H2,1H3,(H,18,19)