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

Systemtic Name: methanethioyl 3-[(6-ethynyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]cyclopent-3-ene-1-carboxylate Openeye Name: methanethioyl 3-[(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-[(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]-1-cyclopent-3-enecarboxylic acid methanethioyl ester IUPAC Name: methanethioyl 3-[(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[(6-ethynyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)methyl]cyclopent-3-ene-1-carboxylic acid thioformyl ester Formula: C19H16O5S MolecularWeight: 356.39234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16O5S/c1-3-13-10(2)15-8-23-19(22)16(15)17(20)14(13)7-11-4-5-12(6-11)18(21)24-9-25/h1,4,9,12,20H,5-8H2,2H3