6-chloranyl-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(methylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(methylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H16ClNO3S/c1-23-13-5-2-4-12(10-13)19-17(20)11-8-14(18)16-15(9-11)21-6-3-7-22-16/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,20)