N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4

InChI

InChI=1S/C21H21ClN2O4S/c1-29-15-5-3-14(4-6-15)24-12-13(9-20(24)25)21(26)23-17-11-19-18(10-16(17)22)27-7-2-8-28-19/h3-6,10-11,13H,2,7-9,12H2,1H3,(H,23,26)