ethyl 1-ethyl-2-[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(6-methoxy-2-naphthyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(6-methoxy-2-naphthalenyl)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(6-methoxy-2-naphthyl)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C25H24N2O4S/c1-4-27-22-11-9-19(24(29)31-5-2)14-21(22)26-25(27)32-15-23(28)18-7-6-17-13-20(30-3)10-8-16(17)12-18/h6-14H,4-5,15H2,1-3H3