ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate

Systemtic Name: ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate Openeye Name: ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate CAS Name: 3-cyano-6-methyl-2-(phenacylthio)-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate Traditional Name: 3-cyano-6-methyl-2-(phenacylthio)-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC2=C1CN(CC2)C)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=NC2=C1CN(CC2)C)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H21N3O3S/c1-3-27-21(26)19-15(11-22)20(23-17-9-10-24(2)12-16(17)19)28-13-18(25)14-7-5-4-6-8-14/h4-8H,3,9-10,12-13H2,1-2H3