4-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[[3-cyano-6-methyl-4-(2-thienyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[3-cyano-6-methyl-4-(2-thienyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]methyl]benzoate Formula: C22H18N3O2S2- MolecularWeight: 420.52722

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C(=O)[O-])C#N)C4=CC=CS4

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C(=O)[O-])C#N)C4=CC=CS4

InChI

InChI=1S/C22H19N3O2S2/c1-25-9-8-18-17(12-25)20(19-3-2-10-28-19)16(11-23)21(24-18)29-13-14-4-6-15(7-5-14)22(26)27/h2-7,10H,8-9,12-13H2,1H3,(H,26,27)/p-1