(phenylmethyl) 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: (phenylmethyl) 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: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H22N3O2S2+ MolecularWeight: 436.56968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C23H21N3O2S2/c1-26-10-9-19-18(13-26)22(20-8-5-11-29-20)17(12-24)23(25-19)30-15-21(27)28-14-16-6-3-2-4-7-16/h2-8,11H,9-10,13-15H2,1H3/p+1