(3S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(2-morpholino-1,3-benzothiazol-6-yl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)-3-phenyl-isochroman-6-carboxamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)C(=O)OC(C5)C6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)C(=O)O[C@@H](C5)C6=CC=CC=C6

InChI

InChI=1S/C27H23N3O4S/c31-25(28-20-7-9-22-24(16-20)35-27(29-22)30-10-12-33-13-11-30)18-6-8-21-19(14-18)15-23(34-26(21)32)17-4-2-1-3-5-17/h1-9,14,16,23H,10-13,15H2,(H,28,31)/t23-/m0/s1