O3-(2-phenylsulfanylethyl) O5-propan-2-yl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-phenylsulfanylethyl) O5-propan-2-yl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[2-(phenylthio)ethyl] ester O5-propan-2-yl ester IUPAC Name: 3-O-(2-phenylsulfanylethyl) 5-O-propan-2-yl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-isopropyl ester O3-[2-(phenylthio)ethyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(NC(=C1C(=O)OC(C)C)C)C)C(=O)OCCSC2=CC=CC=C2

Isomeric SMILES

CC1C(=C(NC(=C1C(=O)OC(C)C)C)C)C(=O)OCCSC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-13(2)26-21(24)19-14(3)18(15(4)22-16(19)5)20(23)25-11-12-27-17-9-7-6-8-10-17/h6-10,13-14,22H,11-12H2,1-5H3