2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[[3-cyano-6-methyl-4-(2-thienyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[[3-cyano-6-methyl-4-(2-thienyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]-2-phenyl-acetic acid Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N)C4=CC=CS4

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N)C4=CC=CS4

InChI

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