ethyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]benzoate Openeye Name: ethyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]benzoate CAS Name: 4-[[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethoxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethoxycarbonylamino]benzoate Traditional Name: 4-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethoxycarbonylamino]benzoic acid ethyl ester Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)OCCSC2=CC=CC(=C2C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)OCCSC2=CC=CC(=C2C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C27H27N3O4S2/c1-3-33-25(31)19-11-13-21(14-12-19)28-27(32)34-15-16-35-24-10-6-7-20(18(24)2)17-36-26-29-22-8-4-5-9-23(22)30-26/h4-14H,3,15-17H2,1-2H3,(H,28,32)(H,29,30)