ethyl 2-(2-benzamido-2-oxidanylidene-ethyl)sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-(2-benzamido-2-oxidanylidene-ethyl)sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-(2-benzamido-2-oxo-ethyl)sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(2-benzamido-2-oxoethyl)thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzamido-2-oxoethyl)sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(2-benzamido-2-keto-ethyl)thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-24-17-11-10-15(20(27)28-4-2)12-16(17)22-21(24)29-13-18(25)23-19(26)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,23,25,26)