4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)C3=CNC(=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)C3=CNC(=C3)C(=O)O

InChI

InChI=1S/C14H13NO3S/c16-13(9-5-10(14(17)18)15-7-9)12-6-8-3-1-2-4-11(8)19-12/h5-7,15H,1-4H2,(H,17,18)