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

Systemtic Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-coumarin Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H20N2O2S/c1-13-8-9-16-15(10-20(24)25-21(16)14(13)2)11-23(3)12-19-22-17-6-4-5-7-18(17)26-19/h4-10H,11-12H2,1-3H3