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

Systemtic Name: butan-2-yl 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O3S/c1-5-15(2)31-25(30)22-19-13-9-10-14-20(19)32-24(22)26-23(29)21-16(3)27-28(17(21)4)18-11-7-6-8-12-18/h6-8,11-12,15H,5,9-10,13-14H2,1-4H3,(H,26,29)