O5-ethyl O3-propan-2-yl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-propan-2-yl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-isopropyl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[3-(methylthio)phenyl]-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-propan-2-yl ester IUPAC Name: 5-O-ethyl 3-O-propan-2-yl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[3-(methylthio)phenyl]-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-isopropyl ester Formula: C29H35NO4S MolecularWeight: 493.6575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OC(C)C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OC(C)C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C29H35NO4S/c1-6-33-28(31)27-24(17-10-14-21-12-8-7-9-13-21)30-20(4)25(29(32)34-19(2)3)26(27)22-15-11-16-23(18-22)35-5/h7-9,11-13,15-16,18-19,26,30H,6,10,14,17H2,1-5H3