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

Systemtic Name: ethyl 2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-4-26-20-12-11-18(22(28)29-5-2)15-19(20)25-23(26)30-16(3)21(27)24-14-13-17-9-7-6-8-10-17/h9,11-12,15-16H,4-8,10,13-14H2,1-3H3,(H,24,27)/t16-/m1/s1