N-(5-chloranyl-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18ClNO4S/c1-22-15-5-3-12(19)9-14(15)20-18(21)11-25-13-4-6-16-17(10-13)24-8-2-7-23-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,21)