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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic 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)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C18H13N2O3S2+ MolecularWeight: 369.43742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(S2)NC(=CC3=O)COC(=O)C=CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(S2)NC(=CC3=O)COC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C18H12N2O3S2/c21-16-10-12(11-23-17(22)8-7-13-4-3-9-24-13)19-18-20(16)14-5-1-2-6-15(14)25-18/h1-10H,11H2/p+1/b8-7+