3-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]-6,7-dimethoxy-phthalide Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C20H16N2O6S/c1-24-14-6-4-11-16(17(14)25-2)19(23)28-18(11)22-20-21-12(8-29-20)10-3-5-13-15(7-10)27-9-26-13/h3-8,18H,9H2,1-2H3,(H,21,22)