butan-2-yl 2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: butan-2-yl 2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[3-(p-tolyl)-1H-pyrazole-5-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-(4-methylphenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(p-tolyl)-1H-pyrazole-5-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H27N3O3S/c1-4-15(3)30-24(29)21-17-7-5-6-8-20(17)31-23(21)25-22(28)19-13-18(26-27-19)16-11-9-14(2)10-12-16/h9-13,15H,4-8H2,1-3H3,(H,25,28)(H,26,27)