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

Systemtic Name: 5-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3,5-dicarbethoxy-4-methyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C17H19N3O7S/c1-5-26-16(24)10-8(3)12(17(25)27-6-2)28-14(10)19-13(21)11-9(15(22)23)7-18-20(11)4/h7H,5-6H2,1-4H3,(H,19,21)(H,22,23)