N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-(2-methyl-1,3-benzothiazol-6-yl)isochroman-3-carboxamide Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C18H14N2O3S/c1-10-19-14-7-6-12(9-16(14)24-10)20-17(21)15-8-11-4-2-3-5-13(11)18(22)23-15/h2-7,9,15H,8H2,1H3,(H,20,21)