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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC(=O)O

InChI

InChI=1S/C15H20N2O3S/c18-14(19)10-16-5-7-17(8-6-16)15(20)13-9-11-3-1-2-4-12(11)21-13/h9H,1-8,10H2,(H,18,19)