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

Systemtic Name: ethyl 2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-3-28-22(27)19-15-6-4-5-7-18(15)29-21(19)23-20(26)17-12-16(24-25-17)14-10-8-13(2)9-11-14/h8-12H,3-7H2,1-2H3,(H,23,26)(H,24,25)