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

Systemtic Name: methyl 6-tert-butyl-2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C23H31N3O3S2/c1-13-11-14(2)25-22(24-13)30-10-9-18(27)26-20-19(21(28)29-6)16-8-7-15(23(3,4)5)12-17(16)31-20/h11,15H,7-10,12H2,1-6H3,(H,26,27)