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

Systemtic Name: 3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)propanoic acid Openeye Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)propanoic acid CAS Name: 3-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]propanoic acid IUPAC Name: 3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)propanoic acid Traditional Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c14-11(15)5-6-13-12(16)9-7-17-10-4-2-1-3-8(9)10/h7H,1-6H2,(H,13,16)(H,14,15)