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

Systemtic Name: 5-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazole-4-carboxylic acid CAS Name: 5-[[[3-[butan-2-yloxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazole-4-carboxylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C19H23N3O5S/c1-4-10(2)27-19(26)14-11-7-5-6-8-13(11)28-17(14)21-16(23)15-12(18(24)25)9-20-22(15)3/h9-10H,4-8H2,1-3H3,(H,21,23)(H,24,25)