(4-methylsulfanylphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: (4-methylsulfanylphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [4-(methylthio)benzyl] ester Formula: C17H15NO4S MolecularWeight: 329.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4S/c1-23-15-9-6-13(7-10-15)12-22-17(19)11-8-14-4-2-3-5-16(14)18(20)21/h2-11H,12H2,1H3/b11-8+