(4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 4-methyl-2-oxidanyl-benzoate

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 4-methyl-2-oxidanyl-benzoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic 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 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C19H15N2O4S+ MolecularWeight: 367.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC4=CC=CC=C43)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC4=CC=CC=C43)O

InChI

InChI=1S/C19H14N2O4S/c1-11-6-7-13(15(22)8-11)18(24)25-10-12-9-17(23)21-14-4-2-3-5-16(14)26-19(21)20-12/h2-9H,10H2,1H3,(H,22,24)/p+1