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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-N-(phenylmethyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-oxo-N-(phenylmethyl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-keto-isochroman-3-carboxamide Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5C(=O)O4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5C(=O)O4)C

InChI

InChI=1S/C26H22N2O3S/c1-16-12-17(2)23-22(13-16)32-26(27-23)28(15-18-8-4-3-5-9-18)24(29)21-14-19-10-6-7-11-20(19)25(30)31-21/h3-13,21H,14-15H2,1-2H3