5-[(3-carboxylato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: 5-[(3-carboxylato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: 5-[(3-carboxylato-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[(3-carboxylato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylate IUPAC Name: 5-[(3-carboxylato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(3-carboxylato-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Formula: C15H13N3O5S-2 MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S/c1-18-9(14(20)21)6-8(17-18)12(19)16-13-11(15(22)23)7-4-2-3-5-10(7)24-13/h6H,2-5H2,1H3,(H,16,19)(H,20,21)(H,22,23)/p-2