4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-6-chloranyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-6-chloranyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-6-chloro-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-6-chloro-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-6-chloro-7-hydroxychromen-2-one Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-6-chloro-7-hydroxy-coumarin Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC4=CC(=O)OC5=CC(=C(C=C45)Cl)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC4=CC(=O)OC5=CC(=C(C=C45)Cl)O

InChI

InChI=1S/C22H19ClN2O3S/c23-16-10-15-14(9-21(27)28-19(15)11-18(16)26)12-25-7-5-13(6-8-25)22-24-17-3-1-2-4-20(17)29-22/h1-4,9-11,13,26H,5-8,12H2