7-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-2-benzofuran-1-one

Systemtic Name: 7-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-2-benzofuran-1-one Openeye Name: 7-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-isobenzofuran-1-one CAS Name: 7-[[(5-chloro-1,3-benzoxazol-2-yl)thio]methyl]-4,5,6-triethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[(5-chloro-1,3-benzoxazol-2-yl)thio]methyl]-4,5,6-triethoxy-phthalide Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=C(O3)C=CC(=C4)Cl)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=C(O3)C=CC(=C4)Cl)OCC)OCC

InChI

InChI=1S/C22H22ClNO6S/c1-4-26-18-13-10-29-21(25)17(13)14(19(27-5-2)20(18)28-6-3)11-31-22-24-15-9-12(23)7-8-16(15)30-22/h7-9H,4-6,10-11H2,1-3H3