3-(3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-(3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-(3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-(3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-(3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-(3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-ylamino)-6,7-dimethoxy-phthalide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC4=C(C=C3)SC5=NCCCN45)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC4=C(C=C3)SC5=NCCCN45)OC

InChI

InChI=1S/C20H19N3O4S/c1-25-14-6-5-12-16(17(14)26-2)19(24)27-18(12)22-11-4-7-15-13(10-11)23-9-3-8-21-20(23)28-15/h4-7,10,18,22H,3,8-9H2,1-2H3