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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-methylbut-2-enoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic 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-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C16H15N2O3S+ MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32)C

Isomeric SMILES

CC(=CC(=O)OCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32)C

InChI

InChI=1S/C16H14N2O3S/c1-10(2)7-15(20)21-9-11-8-14(19)18-12-5-3-4-6-13(12)22-16(18)17-11/h3-8H,9H2,1-2H3/p+1