ethyl 4-[(2S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[(1-ethyl-2-benzimidazolyl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(1-ethylbenzimidazol-2-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(COC3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SC[C@H](COC3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C21H24N2O4S/c1-3-23-19-8-6-5-7-18(19)22-21(23)28-14-16(24)13-27-17-11-9-15(10-12-17)20(25)26-4-2/h5-12,16,24H,3-4,13-14H2,1-2H3/t16-/m0/s1