[methylsulfanyl-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] benzoate

Systemtic Name: [methylsulfanyl-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] benzoate Openeye Name: [methylsulfanyl-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] benzoate CAS Name: benzoic acid [(methylthio)-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] ester IUPAC Name: [methylsulfanyl-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] benzoate Traditional Name: benzoic acid [(methylthio)-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=C(CC=CN1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC(C1=C(CC=CN1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-27-20(26-19(23)14-7-3-2-4-8-14)18-17(11-6-12-21-18)15-9-5-10-16(13-15)22(24)25/h2-10,12-13,20-21H,11H2,1H3