3-(5-chloranyl-4,6-dimethoxy-pyrimidin-2-yl)sulfanyl-3-methyl-2-benzofuran-1-one

Systemtic Name: 3-(5-chloranyl-4,6-dimethoxy-pyrimidin-2-yl)sulfanyl-3-methyl-2-benzofuran-1-one Openeye Name: 3-(5-chloro-4,6-dimethoxy-pyrimidin-2-yl)sulfanyl-3-methyl-isobenzofuran-1-one CAS Name: 3-[(5-chloro-4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-1-isobenzofuranone IUPAC Name: 3-(5-chloro-4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-2-benzofuran-1-one Traditional Name: 3-[(5-chloro-4,6-dimethoxy-pyrimidin-2-yl)thio]-3-methyl-phthalide Formula: C15H13ClN2O4S MolecularWeight: 352.79272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)O1)SC3=NC(=C(C(=N3)OC)Cl)OC

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)O1)SC3=NC(=C(C(=N3)OC)Cl)OC

InChI

InChI=1S/C15H13ClN2O4S/c1-15(9-7-5-4-6-8(9)13(19)22-15)23-14-17-11(20-2)10(16)12(18-14)21-3/h4-7H,1-3H3