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

Systemtic Name: 2-[(1-methylpyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(1-methylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(1-methyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(1-methylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(1-methylpyrazole-4-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=C(C=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

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

InChI

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