4-[2-adamantylidene-(3-hydroxyphenyl)methoxy]butan-2-one; 6-oxidanyl-1,3-benzothiazole-2-carboxamide

Systemtic Name: 4-[2-adamantylidene-(3-hydroxyphenyl)methoxy]butan-2-one; 6-oxidanyl-1,3-benzothiazole-2-carboxamide Openeye Name: 4-[2-adamantylidene-(3-hydroxyphenyl)methoxy]butan-2-one; 6-hydroxy-1,3-benzothiazole-2-carboxamide CAS Name: 4-[2-adamantylidene-(3-hydroxyphenyl)methoxy]-2-butanone; 6-hydroxy-1,3-benzothiazole-2-carboxamide IUPAC Name: 4-[2-adamantylidene-(3-hydroxyphenyl)methoxy]butan-2-one; 6-hydroxy-1,3-benzothiazole-2-carboxamide Traditional Name: 4-[2-adamantylidene-(3-hydroxyphenyl)methoxy]butan-2-one; 6-hydroxy-1,3-benzothiazole-2-carboxamide Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)O.C1=CC2=C(C=C1O)SC(=N2)C(=O)N

Isomeric SMILES

CC(=O)CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)O.C1=CC2=C(C=C1O)SC(=N2)C(=O)N

InChI

InChI=1S/C21H26O3.C8H6N2O2S/c1-13(22)5-6-24-21(16-3-2-4-19(23)12-16)20-17-8-14-7-15(10-17)11-18(20)9-14;9-7(12)8-10-5-2-1-4(11)3-6(5)13-8/h2-4,12,14-15,17-18,23H,5-11H2,1H3;1-3,11H,(H2,9,12)