2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)terephthalic acid

Systemtic Name: 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)terephthalic acid Openeye Name: 2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)terephthalic acid CAS Name: 2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]terephthalic acid IUPAC Name: 2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)terephthalic acid Traditional Name: 2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)terephthalic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15NO5S/c19-15(12-8-24-14-4-2-1-3-10(12)14)18-13-7-9(16(20)21)5-6-11(13)17(22)23/h5-8H,1-4H2,(H,18,19)(H,20,21)(H,22,23)