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

Systemtic Name: methyl 6-tert-butyl-2-[3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C25H31N3O3S2/c1-14-11-15(2)27-22(18(14)13-26)32-10-9-20(29)28-23-21(24(30)31-6)17-8-7-16(25(3,4)5)12-19(17)33-23/h11,16H,7-10,12H2,1-6H3,(H,28,29)