methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(1H-benzimidazol-2-ylthio)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H29N3O3S2/c1-24(2,3)14-9-10-15-18(13-14)32-21(20(15)22(29)30-4)27-19(28)11-12-31-23-25-16-7-5-6-8-17(16)26-23/h5-8,14H,9-13H2,1-4H3,(H,25,26)(H,27,28)