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

Systemtic Name: tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]thio]acetic acid tert-butyl ester Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C20H23N3O2S2/c1-20(2,3)25-17(24)12-27-19-13(10-21)18(16-6-5-9-26-16)14-11-23(4)8-7-15(14)22-19/h5-6,9H,7-8,11-12H2,1-4H3/p+1