methyl 6-methyl-2-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(5-methyl-1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(5-methyl-1,3-diphenylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27N3O3S/c1-17-14-15-21-22(16-17)35-27(24(21)28(33)34-3)29-26(32)23-18(2)31(20-12-8-5-9-13-20)30-25(23)19-10-6-4-7-11-19/h4-13,17H,14-16H2,1-3H3,(H,29,32)