4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-6-chloro-7-methyl-coumarin Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)C(C)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)[C@H](C)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-12-8-18-15(10-16(12)22)14(9-20(25)26-18)11-24(3)13(2)21-23-17-6-4-5-7-19(17)27-21/h4-10,13H,11H2,1-3H3/t13-/m1/s1