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

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(2R)-1-anilino-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-anilino-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-anilino-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-4-24-18-12-11-15(20(26)27-5-2)13-17(18)23-21(24)28-14(3)19(25)22-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25)/t14-/m1/s1