[(1R)-1-(3-nitrophenyl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4S/c1-13(15-4-3-5-16(12-15)19(21)22)23-18(20)11-8-14-6-9-17(24-2)10-7-14/h3-13H,1-2H3/b11-8+/t13-/m1/s1