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

Systemtic Name: butan-2-yl 2-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-methyl-1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[(5-methyl-1,3-diphenylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H31N3O3S/c1-4-19(2)36-30(35)26-23-17-11-12-18-24(23)37-29(26)31-28(34)25-20(3)33(22-15-9-6-10-16-22)32-27(25)21-13-7-5-8-14-21/h5-10,13-16,19H,4,11-12,17-18H2,1-3H3,(H,31,34)