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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H26N2O4S/c1-15(16-4-9-20-21(12-16)29-11-3-10-28-20)24-23(27)17-13-22(26)25(14-17)18-5-7-19(30-2)8-6-18/h4-9,12,15,17H,3,10-11,13-14H2,1-2H3,(H,24,27)