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

Systemtic Name: (3S)-1-oxidanylidene-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-1-oxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)isochromane-3-carboxamide CAS Name: (3S)-1-oxo-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-1-oxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-1-keto-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)isochroman-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)[C@@H]4CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C21H19N3O3S/c25-19(17-11-13-5-1-2-6-15(13)20(26)27-17)22-14-7-8-16-18(12-14)28-21(23-16)24-9-3-4-10-24/h1-2,5-8,12,17H,3-4,9-11H2,(H,22,25)/t17-/m0/s1