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

Systemtic Name: 5-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(5-carbethoxy-3-carbomethoxy-4-methyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=NN2C)C(=O)O)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=NN2C)C(=O)O)C(=O)OC)C

InChI

InChI=1S/C16H17N3O7S/c1-5-26-16(24)11-7(2)9(15(23)25-4)13(27-11)18-12(20)10-8(14(21)22)6-17-19(10)3/h6H,5H2,1-4H3,(H,18,20)(H,21,22)