[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18ClNO5 MolecularWeight: 327.76012

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C15H18ClNO5/c1-3-17-14(18)9(2)22-15(19)10-7-11(16)13-12(8-10)20-5-4-6-21-13/h7-9H,3-6H2,1-2H3,(H,17,18)/t9-/m0/s1