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

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

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7S/c1-6-27-18(26)13-9(4)11(17(25)28-8(2)3)15(29-13)20-14(22)12-10(16(23)24)7-19-21(12)5/h7-8H,6H2,1-5H3,(H,20,22)(H,23,24)