2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazino]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)CC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)CC(=O)O

InChI

InChI=1S/C15H20N2O3S/c18-14(19)9-16-5-7-17(8-6-16)15(20)12-10-21-13-4-2-1-3-11(12)13/h10H,1-9H2,(H,18,19)