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

Systemtic Name: ethyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H31N3O3S2/c1-5-31-23(30)21-16-11-10-15(25(2,3)4)14-19(16)33-22(21)28-20(29)12-13-32-24-26-17-8-6-7-9-18(17)27-24/h6-9,15H,5,10-14H2,1-4H3,(H,26,27)(H,28,29)