[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl 3-phenylprop-2-enoate

Systemtic Name: [2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl 3-phenylprop-2-enoate Openeye Name: [5-nitro-2-(p-tolylsulfanyl)phenyl]methyl 3-phenylprop-2-enoate CAS Name: 3-phenyl-2-propenoic acid [2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl ester IUPAC Name: [2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl 3-phenylprop-2-enoate Traditional Name: 3-phenylacrylic acid [5-nitro-2-(p-tolylthio)benzyl] ester Formula: C23H19NO4S MolecularWeight: 405.46626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C23H19NO4S/c1-17-7-11-21(12-8-17)29-22-13-10-20(24(26)27)15-19(22)16-28-23(25)14-9-18-5-3-2-4-6-18/h2-15H,16H2,1H3