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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(C)C)O

Isomeric SMILES

C[C@@H]1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(C)C)O

InChI

InChI=1S/C26H28N2O3S/c1-15(2)24-22(26-27-19-9-4-5-10-21(19)32-26)23(30)17-11-12-20(29)18(25(17)31-24)14-28-13-7-6-8-16(28)3/h4-5,9-12,15-16,29H,6-8,13-14H2,1-3H3/t16-/m1/s1