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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C

InChI

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