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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-8-[[(2R)-2-methylpiperidin-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[(2R)-2-methyl-1-piperidyl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[(2R)-2-methyl-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[(2R)-2-methylpiperidino]methyl]chromone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC[C@H]3C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N2O3S/c1-3-20-22(25-26-18-9-4-5-10-21(18)31-25)23(29)16-11-12-19(28)17(24(16)30-20)14-27-13-7-6-8-15(27)2/h4-5,9-12,15,28H,3,6-8,13-14H2,1-2H3/t15-/m1/s1