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

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(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-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(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)C(C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H31N3O3S2/c1-6-31-23(30)20-16-12-11-15(25(3,4)5)13-19(16)33-22(20)28-21(29)14(2)32-24-26-17-9-7-8-10-18(17)27-24/h7-10,14-15H,6,11-13H2,1-5H3,(H,26,27)(H,28,29)