ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H20N3O2S2+ MolecularWeight: 374.5003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S2/c1-3-23-16(22)11-25-18-12(9-19)17(15-5-4-8-24-15)13-10-21(2)7-6-14(13)20-18/h4-5,8H,3,6-7,10-11H2,1-2H3/p+1