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

Systemtic Name: 5-[(3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3-methoxycarbonyl-5-methyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3-carbomethoxy-5-methyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=C(C=NN2C)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=C(C=NN2C)C(=O)O)C(=O)OC

InChI

InChI=1S/C13H13N3O5S/c1-6-4-7(13(20)21-3)11(22-6)15-10(17)9-8(12(18)19)5-14-16(9)2/h4-5H,1-3H3,(H,15,17)(H,18,19)