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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(2R)-2-methylpiperidin-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(2R)-2-methyl-1-piperidyl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(2R)-2-methyl-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(2R)-2-methylpiperidino]methyl]chromone Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)CN5CCCC[C@H]5C)O

InChI

InChI=1S/C27H30N2O3S/c1-4-17-14-18-25(31)23(27-28-20-11-6-7-12-22(20)33-27)21(5-2)32-26(18)19(24(17)30)15-29-13-9-8-10-16(29)3/h6-7,11-12,14,16,30H,4-5,8-10,13,15H2,1-3H3/t16-/m1/s1