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

Systemtic Name: 5-[(5-aminocarbonyl-4-methyl-3-propoxycarbonyl-thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(5-carbamoyl-4-methyl-3-propoxycarbonyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[5-carbamoyl-4-methyl-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(5-carbamoyl-4-methyl-3-propoxycarbonylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(5-carbamoyl-4-methyl-3-propoxycarbonyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C16H18N4O6S/c1-4-5-26-16(25)9-7(2)11(12(17)21)27-14(9)19-13(22)10-8(15(23)24)6-18-20(10)3/h6H,4-5H2,1-3H3,(H2,17,21)(H,19,22)(H,23,24)