(3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H15N3O3S2/c1-13-12-27-20-22-14(10-17(24)23(13)20)11-26-19(25)16-8-5-9-21-18(16)28-15-6-3-2-4-7-15/h2-10,12H,11H2,1H3