(3R)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-N-prop-2-enyl-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-N-prop-2-enyl-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-allyl-N-[4-(4-nitrophenyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-(4-nitrophenyl)-2-thiazolyl]-1-oxo-N-prop-2-enyl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-oxo-N-prop-2-enyl-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-allyl-1-keto-N-[4-(4-nitrophenyl)thiazol-2-yl]isochroman-3-carboxamide Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C=CCN(C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H17N3O5S/c1-2-11-24(20(26)19-12-15-5-3-4-6-17(15)21(27)30-19)22-23-18(13-31-22)14-7-9-16(10-8-14)25(28)29/h2-10,13,19H,1,11-12H2/t19-/m1/s1