(3R)-1-oxidanylidene-3-phenyl-N-(3-phenylsulfanylpropyl)-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3R)-1-oxidanylidene-3-phenyl-N-(3-phenylsulfanylpropyl)-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3R)-1-oxo-3-phenyl-N-(3-phenylsulfanylpropyl)isochromane-6-carboxamide CAS Name: (3R)-1-oxo-3-phenyl-N-[3-(phenylthio)propyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3R)-1-oxo-3-phenyl-N-(3-phenylsulfanylpropyl)-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3R)-1-keto-3-phenyl-N-[3-(phenylthio)propyl]isochroman-6-carboxamide Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC(=O)C2=C1C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S/c27-24(26-14-7-15-30-21-10-5-2-6-11-21)19-12-13-22-20(16-19)17-23(29-25(22)28)18-8-3-1-4-9-18/h1-6,8-13,16,23H,7,14-15,17H2,(H,26,27)/t23-/m1/s1