ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[(ethylthio)-oxomethyl]-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(ethylthio)carbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3S/c1-4-30-25(28)23-21(17-16-19-12-8-6-9-13-19)22(26(29)31-5-2)18(3)27-24(23)20-14-10-7-11-15-20/h6-15,21,27H,4-5H2,1-3H3