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

Systemtic Name: propan-2-yl 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-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 isopropyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C

InChI

InChI=1S/C24H27N3O3S/c1-14(2)30-24(29)21-18-12-8-9-13-19(18)31-23(21)25-22(28)20-15(3)26-27(16(20)4)17-10-6-5-7-11-17/h5-7,10-11,14H,8-9,12-13H2,1-4H3,(H,25,28)