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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethyl-1-piperidyl]methyl]-7-hydroxy-2-isopropyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-7-hydroxy-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-hydroxy-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidino]methyl]-7-hydroxy-2-isopropyl-chromone Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S/c1-4-17-9-7-8-14-29(17)15-19-21(30)13-12-18-24(31)23(25(16(2)3)32-26(18)19)27-28-20-10-5-6-11-22(20)33-27/h5-6,10-13,16-17,30H,4,7-9,14-15H2,1-3H3/t17-/m0/s1