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

Systemtic Name: 5-[(5-ethoxycarbonyl-4-methyl-3-propoxycarbonyl-thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(5-ethoxycarbonyl-4-methyl-3-propoxycarbonyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[5-ethoxycarbonyl-4-methyl-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(5-ethoxycarbonyl-4-methyl-3-propoxycarbonylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(5-carbethoxy-4-methyl-3-propoxycarbonyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7S/c1-5-7-28-17(25)11-9(3)13(18(26)27-6-2)29-15(11)20-14(22)12-10(16(23)24)8-19-21(12)4/h8H,5-7H2,1-4H3,(H,20,22)(H,23,24)