8-methoxy-3-(naphthalen-1-ylmethyl)-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one

Systemtic Name: 8-methoxy-3-(naphthalen-1-ylmethyl)-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 4-hydroxy-8-methoxy-3-(1-naphthylmethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 4-hydroxy-8-methoxy-3-(1-naphthalenylmethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 4-hydroxy-8-methoxy-3-(naphthalen-1-ylmethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 4-hydroxy-8-methoxy-3-(1-naphthylmethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C22H17N2O3S+ MolecularWeight: 389.44698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+]3=C(S2)NC(=O)C(=C3O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC2=C(C=C1)[N+]3=C(S2)NC(=O)C(=C3O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H16N2O3S/c1-27-15-9-10-18-19(12-15)28-22-23-20(25)17(21(26)24(18)22)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,12H,11H2,1H3,(H,25,26)/p+1