ethyl 1-ethyl-2-[(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1R)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1R)-2-keto-1-methyl-2-(m-toluidino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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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=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-5-25-19-11-10-16(21(27)28-6-2)13-18(19)24-22(25)29-15(4)20(26)23-17-9-7-8-14(3)12-17/h7-13,15H,5-6H2,1-4H3,(H,23,26)/t15-/m1/s1