ethyl 2-[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(5-tert-butyl-2-methoxy-anilino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(5-tert-butyl-2-methoxy-anilino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

InChI

InChI=1S/C25H31N3O4S/c1-7-28-20-11-9-16(23(30)32-8-2)13-18(20)27-24(28)33-15-22(29)26-19-14-17(25(3,4)5)10-12-21(19)31-6/h9-14H,7-8,15H2,1-6H3,(H,26,29)