O3-phenethyl O5-(phenylsulfanylmethyl) 1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-phenethyl O5-(phenylsulfanylmethyl) 1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-phenethyl O5-(phenylsulfanylmethyl) 1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 1,4-dihydropyridine-3,5-dicarboxylic acid O3-phenethyl ester O5-[(phenylthio)methyl] ester IUPAC Name: 3-O-phenethyl 5-O-(phenylsulfanylmethyl) 1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 1,4-dihydropyridine-3,5-dicarboxylic acid O3-phenethyl ester O5-[(phenylthio)methyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC=C1C(=O)OCSC2=CC=CC=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1C(=CNC=C1C(=O)OCSC2=CC=CC=C2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c24-21(26-12-11-17-7-3-1-4-8-17)18-13-19(15-23-14-18)22(25)27-16-28-20-9-5-2-6-10-20/h1-10,14-15,23H,11-13,16H2