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

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-cyanobenzoate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3S/c1-10-9-23-16-18-13(6-14(20)19(10)16)8-22-15(21)12-4-2-3-11(5-12)7-17/h2-6,9H,8H2,1H3