methanethioyl 3-[(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: methanethioyl 3-[(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]cyclopent-3-ene-1-carboxylate Openeye Name: methanethioyl 3-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]-1-cyclopent-3-enecarboxylic acid methanethioyl ester IUPAC Name: methanethioyl 3-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)methyl]cyclopent-3-ene-1-carboxylic acid thioformyl ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC3=CCC(C3)C(=O)OC=S)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)CC3=CCC(C3)C(=O)OC=S)OC

InChI

InChI=1S/C18H18O6S/c1-9-13-7-23-18(21)14(13)15(19)12(16(9)22-2)6-10-3-4-11(5-10)17(20)24-8-25/h3,8,11,19H,4-7H2,1-2H3