(3S)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]isochroman-3-carboxamide Formula: C19H16N2O3S2 MolecularWeight: 384.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C19H16N2O3S2/c1-19(10-11-5-3-4-6-13(11)16(22)24-19)17(23)20-12-7-8-14-15(9-12)26-18(21-14)25-2/h3-9H,10H2,1-2H3,(H,20,23)/t19-/m0/s1