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

Systemtic Name: 8-methoxy-4-oxidanyl-3-(phenylmethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-benzyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 4-hydroxy-8-methoxy-3-(phenylmethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 3-benzyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-benzyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C18H15N2O3S+ MolecularWeight: 339.3883

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=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)[N+]3=C(S2)NC(=O)C(=C3O)CC4=CC=CC=C4

InChI

InChI=1S/C18H14N2O3S/c1-23-12-7-8-14-15(10-12)24-18-19-16(21)13(17(22)20(14)18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,21,22)/p+1