1,3-benzodioxol-5-yl 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetate CAS Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetate Traditional Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]acetic acid 1,3-benzodioxol-5-yl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2N1)SCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O4S/c1-11(18-19-13-4-2-3-5-14(13)20-18)25-9-17(21)24-12-6-7-15-16(8-12)23-10-22-15/h2-8,11H,9-10H2,1H3,(H,19,20)/t11-/m1/s1