ethyl 1-ethyl-2-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O5S/c1-4-26-19-11-10-17(22(29)31-5-2)12-18(19)25-23(26)32-14-20(27)24-13-15-6-8-16(9-7-15)21(28)30-3/h6-12H,4-5,13-14H2,1-3H3,(H,24,27)