[2-(diethylamino)-2-oxidanylidene-ethyl] 2-methyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 2-methyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1C(C(OC2=CC=CC=C2S1)C)O

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1C(C(OC2=CC=CC=C2S1)C)O

InChI

InChI=1S/C17H23NO5S/c1-4-18(5-2)14(19)10-22-17(21)16-15(20)11(3)23-12-8-6-7-9-13(12)24-16/h6-9,11,15-16,20H,4-5,10H2,1-3H3