methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-1-phenethyl-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-1-phenethyl-benzimidazole-5-carboxylate Openeye Name: methyl 2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-1-phenethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-1-phenethyl-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-1-phenethylbenzimidazole-5-carboxylate Traditional Name: 2-[(2-tert-butoxy-2-keto-ethyl)thio]-1-phenethyl-benzimidazole-5-carboxylic acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(N1CCC3=CC=CC=C3)C=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(N1CCC3=CC=CC=C3)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C23H26N2O4S/c1-23(2,3)29-20(26)15-30-22-24-18-14-17(21(27)28-4)10-11-19(18)25(22)13-12-16-8-6-5-7-9-16/h5-11,14H,12-13,15H2,1-4H3