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

Systemtic Name: ethyl 5-ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[(ethylthio)-oxomethyl]-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(ethylthio)carbonyl-2-methyl-6-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)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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