ethyl 1-(ethoxymethyl)-5-ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylate

Systemtic Name: ethyl 1-(ethoxymethyl)-5-ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylate Openeye Name: ethyl 1-(ethoxymethyl)-5-ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylate CAS Name: 1-(ethoxymethyl)-5-[(ethylthio)-oxomethyl]-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(ethoxymethyl)-5-ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylate Traditional Name: 1-(ethoxymethyl)-5-(ethylthio)carbonyl-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid ethyl ester Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(C(=C1C2=CC=CC=C2)C(=O)SCC)C#CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCOCN1C(=C(C(C(=C1C2=CC=CC=C2)C(=O)SCC)C#CC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C29H31NO4S/c1-5-33-20-30-21(4)25(28(31)34-6-2)24(19-18-22-14-10-8-11-15-22)26(29(32)35-7-3)27(30)23-16-12-9-13-17-23/h8-17,24H,5-7,20H2,1-4H3