5-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3-carbethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C18H21N3O5S/c1-3-26-18(25)13-10-7-5-4-6-8-12(10)27-16(13)20-15(22)14-11(17(23)24)9-19-21(14)2/h9H,3-8H2,1-2H3,(H,20,22)(H,23,24)