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

Systemtic Name: 6-chloranyl-N-ethyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-ethyl-N-(2-thienylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-ethyl-N-(2-thenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CS1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN(CC1=CC=CS1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H18ClNO3S/c1-2-19(11-13-5-3-8-23-13)17(20)12-9-14(18)16-15(10-12)21-6-4-7-22-16/h3,5,8-10H,2,4,6-7,11H2,1H3