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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC1(C(COC2=CC=CC=C2S1)O)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)CC1(C(COC2=CC=CC=C2S1)O)C(=O)OC

InChI

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