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

Systemtic Name: ethyl (2S)-2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]sulfanyl]propanoate CAS Name: (2S)-2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]thio]propionic acid ethyl ester Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C19H21N3O2S2/c1-4-24-19(23)12(2)26-18-13(10-20)17(16-6-5-9-25-16)14-11-22(3)8-7-15(14)21-18/h5-6,9,12H,4,7-8,11H2,1-3H3/p+1/t12-/m0/s1