6-chloranyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(3-methyl-2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(3-methyl-2-thiophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[(3-methyl-2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H16ClNO3S/c1-10-3-6-22-14(10)9-18-16(19)11-7-12(17)15-13(8-11)20-4-2-5-21-15/h3,6-8H,2,4-5,9H2,1H3,(H,18,19)