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

Systemtic Name: 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-6,7-dimethoxy-phthalide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

InChI

InChI=1S/C21H20N2O4S/c1-4-12-5-7-13(8-6-12)15-11-28-21(22-15)23-19-14-9-10-16(25-2)18(26-3)17(14)20(24)27-19/h5-11,19H,4H2,1-3H3,(H,22,23)