(4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C18H16N3O4S+ MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)SC4=CC=CC=C43)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)SC4=CC=CC=C43)C

InChI

InChI=1S/C18H15N3O4S/c1-3-12-16(10(2)25-20-12)17(23)24-9-11-8-15(22)21-13-6-4-5-7-14(13)26-18(21)19-11/h4-8H,3,9H2,1-2H3/p+1