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

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic 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-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O5S/c1-9-8-25-16-17-11(6-14(20)18(9)16)7-24-15(21)12-4-3-5-13(10(12)2)19(22)23/h3-6,8H,7H2,1-2H3