4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-coumarin Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=NC4=CC=CC=C4S3)C

InChI

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