4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7-hydroxy-coumarin Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H18N2O3S/c1-12(20-21-16-5-3-4-6-18(16)26-20)22(2)11-13-9-19(24)25-17-10-14(23)7-8-15(13)17/h3-10,12,23H,11H2,1-2H3/t12-/m1/s1