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

Systemtic Name: methyl 4-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]thio]-3-keto-butyric acid methyl ester Formula: C19H20N3O3S2+ MolecularWeight: 402.5104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)CC(=O)OC)C#N)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)CC(=O)OC)C#N)C3=CC=CS3

InChI

InChI=1S/C19H19N3O3S2/c1-22-6-5-15-14(10-22)18(16-4-3-7-26-16)13(9-20)19(21-15)27-11-12(23)8-17(24)25-2/h3-4,7H,5-6,8,10-11H2,1-2H3/p+1