(Z)-6-[4-(diethylcarbamothioyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-[4-(diethylcarbamothioyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[4-(diethylcarbamothioyloxy)-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[4-[diethylamino(sulfanylidene)methoxy]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[4-(diethylcarbamothioyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-[4-(diethylthiocarbamoyloxy)-3-keto-6-methoxy-7-methyl-phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)CC=C(C)CCC(=O)O

Isomeric SMILES

CCN(CC)C(=S)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)C/C=C(/C)\CCC(=O)O

InChI

InChI=1S/C22H29NO6S/c1-6-23(7-2)22(30)29-20-15(10-8-13(3)9-11-17(24)25)19(27-5)14(4)16-12-28-21(26)18(16)20/h8H,6-7,9-12H2,1-5H3,(H,24,25)/b13-8-