2-(1H-pyrazol-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(1H-pyrazol-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(1H-pyrazole-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[oxo(1H-pyrazol-4-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(1H-pyrazole-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(1H-pyrazole-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CNN=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CNN=C3)C(=O)O

InChI

InChI=1S/C13H13N3O3S/c17-11(7-5-14-15-6-7)16-12-10(13(18)19)8-3-1-2-4-9(8)20-12/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)