[(1R)-1-(3-nitrophenyl)ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5S/c1-3-23-16-7-9-17(10-8-16)25-12-18(20)24-13(2)14-5-4-6-15(11-14)19(21)22/h4-11,13H,3,12H2,1-2H3/t13-/m1/s1