3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-6-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-6-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methyl-6-[(3-methyl-1-piperidyl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methyl-6-[(3-methyl-1-piperidinyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methyl-6-[(3-methylpiperidin-1-yl)methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-methyl-6-[(3-methylpiperidino)methyl]chromone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCC(C3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCCC(C3)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N2O3S/c1-4-20-22(26-27-19-9-5-6-10-21(19)32-26)24(30)18-12-17(23(29)16(3)25(18)31-20)14-28-11-7-8-15(2)13-28/h5-6,9-10,12,15,29H,4,7-8,11,13-14H2,1-3H3