ethyl 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-3-28-20(27)11-16(26)14-29-22-17(12-23)21(15-7-5-4-6-8-15)18-13-25(2)10-9-19(18)24-22/h4-8H,3,9-11,13-14H2,1-2H3/p+1