5-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-3-yl)oxy]ethyl]-4-methyl-1,3-thiazole hydrate

Systemtic Name: 5-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-3-yl)oxy]ethyl]-4-methyl-1,3-thiazole hydrate Openeye Name: 5-[2-(6,7-dimethoxyisochroman-3-yl)oxyethyl]-4-methyl-thiazole hydrate CAS Name: 5-[2-[(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl)oxy]ethyl]-4-methylthiazole hydrate IUPAC Name: 5-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-3-yl)oxy]ethyl]-4-methyl-1,3-thiazole hydrate Traditional Name: 5-[2-(6,7-dimethoxyisochroman-3-yl)oxyethyl]-4-methyl-thiazole hydrate Formula: C34H44N2O9S2 MolecularWeight: 688.85116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCOC2CC3=CC(=C(C=C3CO2)OC)OC.CC1=C(SC=N1)CCOC2CC3=CC(=C(C=C3CO2)OC)OC.O

Isomeric SMILES

CC1=C(SC=N1)CCOC2CC3=CC(=C(C=C3CO2)OC)OC.CC1=C(SC=N1)CCOC2CC3=CC(=C(C=C3CO2)OC)OC.O

InChI

InChI=1S/2C17H21NO4S.H2O/c2*1-11-16(23-10-18-11)4-5-21-17-8-12-6-14(19-2)15(20-3)7-13(12)9-22-17;/h2*6-7,10,17H,4-5,8-9H2,1-3H3;1H2