methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18N3O2S2+ MolecularWeight: 360.47372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S2/c1-20-6-5-13-12(9-20)16(14-4-3-7-23-14)11(8-18)17(19-13)24-10-15(21)22-2/h3-4,7H,5-6,9-10H2,1-2H3/p+1