5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C17H19N3O5S/c1-3-25-17(24)12-9-6-4-5-7-11(9)26-15(12)19-14(21)13-10(16(22)23)8-18-20(13)2/h8H,3-7H2,1-2H3,(H,19,21)(H,22,23)