ethyl 1-ethyl-2-[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1R)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1R)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-6-28-21-13-10-18(24(31)32-7-2)14-20(21)27-25(28)33-16(5)22(29)17-8-11-19(12-9-17)26-23(30)15(3)4/h8-16H,6-7H2,1-5H3,(H,26,30)/t16-/m1/s1