2-[(7-methyl-4-oxidanylidene-1-phenyl-2-phenylazanyl-1,6-naphthyridin-5-yl)sulfanyl]butanoic acid

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-1-phenyl-2-phenylazanyl-1,6-naphthyridin-5-yl)sulfanyl]butanoic acid Openeye Name: 2-[(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)sulfanyl]butanoic acid CAS Name: 2-[(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)thio]butanoic acid IUPAC Name: 2-[(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)sulfanyl]butanoic acid Traditional Name: 2-[(2-anilino-4-keto-7-methyl-1-phenyl-1,6-naphthyridin-5-yl)thio]butyric acid Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=C2C(=CC(=N1)C)N(C(=CC2=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)O)SC1=C2C(=CC(=N1)C)N(C(=CC2=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-3-21(25(30)31)32-24-23-19(14-16(2)26-24)28(18-12-8-5-9-13-18)22(15-20(23)29)27-17-10-6-4-7-11-17/h4-15,21,27H,3H2,1-2H3,(H,30,31)