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

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-chloranyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-chloro-7-hydroxy-chromen-2-one CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-6-chloro-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-chloro-7-hydroxychromen-2-one Traditional Name: 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-6-chloro-7-hydroxy-coumarin Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H17ClN2O3S/c22-14-9-13-12(8-20(26)27-18(13)10-17(14)25)11-24-7-3-5-16(24)21-23-15-4-1-2-6-19(15)28-21/h1-2,4,6,8-10,16,25H,3,5,7,11H2