5-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3-carbethoxy-5-ethyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=C(C=NN2C)C(=O)O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=C(C=NN2C)C(=O)O)C(=O)OCC

InChI

InChI=1S/C15H17N3O5S/c1-4-8-6-9(15(22)23-5-2)13(24-8)17-12(19)11-10(14(20)21)7-16-18(11)3/h6-7H,4-5H2,1-3H3,(H,17,19)(H,20,21)