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

Systemtic Name: ethyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(1H-benzimidazol-2-ylthio)propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H27N3O3S2/c1-2-33-26(32)24-19-13-12-18(17-8-4-3-5-9-17)16-22(19)35-25(24)30-23(31)14-15-34-27-28-20-10-6-7-11-21(20)29-27/h3-11,18H,2,12-16H2,1H3,(H,28,29)(H,30,31)