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

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-6-chloro-7-methyl-coumarin Formula: C23H21ClN2O2S MolecularWeight: 424.94304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCC(CC3)C4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCC(CC3)C4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H21ClN2O2S/c1-14-10-20-17(12-18(14)24)16(11-22(27)28-20)13-26-8-6-15(7-9-26)23-25-19-4-2-3-5-21(19)29-23/h2-5,10-12,15H,6-9,13H2,1H3