ethanoic acid; S-thiomorpholin-4-yl 3,5-dimethoxy-4-oxidanyl-benzenecarbothioate

Systemtic Name: ethanoic acid; S-thiomorpholin-4-yl 3,5-dimethoxy-4-oxidanyl-benzenecarbothioate Openeye Name: acetic acid; S-thiomorpholino 4-hydroxy-3,5-dimethoxy-benzenecarbothioate CAS Name: acetic acid; 4-hydroxy-3,5-dimethoxybenzenecarbothioic acid S-thiomorpholin-4-yl ester IUPAC Name: acetic acid; S-thiomorpholin-4-yl 4-hydroxy-3,5-dimethoxybenzenecarbothioate Traditional Name: acetic acid; 4-hydroxy-3,5-dimethoxy-thiobenzoic acid S-thiomorpholino ester Formula: C15H21NO6S2 MolecularWeight: 375.46034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=CC(=CC(=C1O)OC)C(=O)SN2CCSCC2

Isomeric SMILES

CC(=O)O.COC1=CC(=CC(=C1O)OC)C(=O)SN2CCSCC2

InChI

InChI=1S/C13H17NO4S2.C2H4O2/c1-17-10-7-9(8-11(18-2)12(10)15)13(16)20-14-3-5-19-6-4-14;1-2(3)4/h7-8,15H,3-6H2,1-2H3;1H3,(H,3,4)