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

Systemtic Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 1-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methyl-isochroman-3-carboxamide Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C19H16N2O5S2/c1-19(10-11-5-3-4-6-13(11)16(22)26-19)17(23)21-18-20-14-8-7-12(28(2,24)25)9-15(14)27-18/h3-9H,10H2,1-2H3,(H,20,21,23)