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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)CN5CCCCC5C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)CN5CCCCC5C)O

InChI

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