methyl 6-tert-butyl-2-[(1,3-dimethylpyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-tert-butyl-2-[(1,3-dimethylpyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(1,3-dimethyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C20H27N3O3S/c1-11-14(10-23(5)22-11)17(24)21-18-16(19(25)26-6)13-8-7-12(20(2,3)4)9-15(13)27-18/h10,12H,7-9H2,1-6H3,(H,21,24)