N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N2O4S/c1-28-17-6-4-16(5-7-17)23-13-14(11-20(23)24)21(25)22-15-3-8-18-19(12-15)27-10-2-9-26-18/h3-8,12,14H,2,9-11,13H2,1H3,(H,22,25)