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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

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