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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl (E)-but-2-enoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl (E)-but-2-enoate CAS Name: (E)-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 (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C15H13N2O3S+ MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O3S/c1-2-5-14(19)20-9-10-8-13(18)17-11-6-3-4-7-12(11)21-15(17)16-10/h2-8H,9H2,1H3/p+1/b5-2+