2-[2-(1,3-benzothiazol-2-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C=C(O1)O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1(CC(=O)C=C(O1)O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19NO3S/c1-11(2)17(10-12(19)9-16(20)21-17)8-7-15-18-13-5-3-4-6-14(13)22-15/h3-6,9,11,20H,7-8,10H2,1-2H3