N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-4-(methylthio)benzamide Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

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