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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20ClNO4S/c1-12-8-15(17(23-2)10-14(12)20)21-19(22)11-26-13-4-5-16-18(9-13)25-7-3-6-24-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,21,22)