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

Systemtic Name: propyl 2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-3-12-29-23(28)20-16-6-4-5-7-19(16)30-22(20)24-21(27)18-13-17(25-26-18)15-10-8-14(2)9-11-15/h8-11,13H,3-7,12H2,1-2H3,(H,24,27)(H,25,26)