2-(2H-1,4-thiazin-4-ium-4-yl)ethyl (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: 2-(2H-1,4-thiazin-4-ium-4-yl)ethyl (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: 2-(2H-1,4-thiazin-4-ium-4-yl)ethyl (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(2H-1,4-thiazin-4-ium-4-yl)ethyl ester IUPAC Name: 2-(2H-1,4-thiazin-4-ium-4-yl)ethyl (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid 2-(2H-1,4-thiazin-4-ium-4-yl)ethyl ester Formula: C23H28NO6S+ MolecularWeight: 446.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCC[N+]3=CCSC=C3)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/C)\CCC(=O)OCC[N+]3=CCSC=C3)OC

InChI

InChI=1S/C23H27NO6S/c1-15(5-7-19(25)29-11-8-24-9-12-31-13-10-24)4-6-17-21(26)20-18(14-30-23(20)27)16(2)22(17)28-3/h4,9-10,12H,5-8,11,13-14H2,1-3H3/p+1/b15-4-