ethyl 1-ethyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-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=C1SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-24-18-11-10-16(20(26)27-4-2)12-17(18)23-21(24)28-14-19(25)22-13-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)