3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)butanoic acid

Systemtic Name: 3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)butanoic acid Openeye Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)butanoic acid CAS Name: 3-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]butanoic acid IUPAC Name: 3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)butanoic acid Traditional Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CSC2=C1CCCC2

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CSC2=C1CCCC2

InChI

InChI=1S/C13H17NO3S/c1-8(6-12(15)16)14-13(17)10-7-18-11-5-3-2-4-9(10)11/h7-8H,2-6H2,1H3,(H,14,17)(H,15,16)