methyl (2R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C15H19NO6S2 MolecularWeight: 373.44446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C15H19NO6S2/c1-20-15(17)14-10-16(5-8-23-14)24(18,19)11-3-4-12-13(9-11)22-7-2-6-21-12/h3-4,9,14H,2,5-8,10H2,1H3/t14-/m1/s1