methyl 4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[(1R)-1-(3-nitrophenyl)ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[(1R)-1-(3-nitrophenyl)ethyl]thio]methyl]benzoic acid methyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H17NO4S/c1-12(15-4-3-5-16(10-15)18(20)21)23-11-13-6-8-14(9-7-13)17(19)22-2/h3-10,12H,11H2,1-2H3/t12-/m1/s1