ethyl 1-ethyl-2-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H30N4O4S/c1-4-29-22-11-6-18(24(31)33-5-2)16-21(22)27-25(29)34-17(3)23(30)26-19-7-9-20(10-8-19)28-12-14-32-15-13-28/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,26,30)/t17-/m1/s1