(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(phenylthio)propyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[3-(phenylthio)propyl]pyrrolidine-3-carboxamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4S/c25-21-13-16(22(26)23-9-4-12-29-18-5-2-1-3-6-18)15-24(21)17-7-8-19-20(14-17)28-11-10-27-19/h1-3,5-8,14,16H,4,9-13,15H2,(H,23,26)/t16-/m0/s1