methyl (2R)-4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(7-chloro-1,3-benzodioxole-5-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(7-chloro-1,3-benzodioxole-5-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(7-chloropiperonyloyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C14H14ClNO5S MolecularWeight: 343.78266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C14H14ClNO5S/c1-19-14(18)11-6-16(2-3-22-11)13(17)8-4-9(15)12-10(5-8)20-7-21-12/h4-5,11H,2-3,6-7H2,1H3/t11-/m1/s1