2-[(2-methylpyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(2-methylpyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-17-9(6-7-15-17)12(18)16-13-11(14(19)20)8-4-2-3-5-10(8)21-13/h6-7H,2-5H2,1H3,(H,16,18)(H,19,20)