4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7,8-dimethyl-coumarin Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)C(C)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)[C@H](C)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H22N2O2S/c1-13-9-10-17-16(11-20(25)26-21(17)14(13)2)12-24(4)15(3)22-23-18-7-5-6-8-19(18)27-22/h5-11,15H,12H2,1-4H3/t15-/m1/s1