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

Systemtic Name: 4-(2H-1,4-thiazin-4-ium-4-yl)butyl (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: 4-(2H-1,4-thiazin-4-ium-4-yl)butyl (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 4-(2H-1,4-thiazin-4-ium-4-yl)butyl ester IUPAC Name: 4-(2H-1,4-thiazin-4-ium-4-yl)butyl (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 4-(2H-1,4-thiazin-4-ium-4-yl)butyl ester Formula: C25H32NO6S+ MolecularWeight: 474.58968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6S/c1-17(7-9-21(27)31-13-5-4-10-26-11-14-33-15-12-26)6-8-19-23(28)22-20(16-32-25(22)29)18(2)24(19)30-3/h6,11-12,14H,4-5,7-10,13,15-16H2,1-3H3/p+1/b17-6-