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

Systemtic Name: 8-methoxy-3-(3-methylbutyl)-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 4-hydroxy-3-isopentyl-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 4-hydroxy-8-methoxy-3-(3-methylbutyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 4-hydroxy-8-methoxy-3-(3-methylbutyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 4-hydroxy-3-isoamyl-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

Isomeric SMILES

CC(C)CCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

InChI

InChI=1S/C16H18N2O3S/c1-9(2)4-6-11-14(19)17-16-18(15(11)20)12-7-5-10(21-3)8-13(12)22-16/h5,7-9H,4,6H2,1-3H3,(H,19,20)/p+1