O3-ethyl O5-(2-sulfanylideneethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(2-sulfanylideneethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(2-thioxoethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(2-sulfanylideneethyl) ester IUPAC Name: 3-O-ethyl 5-O-(2-sulfanylideneethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(2-thioxoethyl) ester Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC=S)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC=S)C3=CC=CC=C3)C

InChI

InChI=1S/C26H23NO4S/c1-3-30-25(28)22-18(2)27-24(20-12-8-5-9-13-20)23(26(29)31-16-17-32)21(22)15-14-19-10-6-4-7-11-19/h4-13,17,21,27H,3,16H2,1-2H3