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

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-keto-4-[4-(methylthio)phenyl]butyramide Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C20H20ClNO4S/c1-27-14-5-3-13(4-6-14)17(23)7-8-20(24)22-16-12-19-18(11-15(16)21)25-9-2-10-26-19/h3-6,11-12H,2,7-10H2,1H3,(H,22,24)