ethanoic acid; S-morpholin-4-yl 3,5-dimethoxy-4-oxidanylsulfanyl-benzenecarbothioate

Systemtic Name: ethanoic acid; S-morpholin-4-yl 3,5-dimethoxy-4-oxidanylsulfanyl-benzenecarbothioate Openeye Name: acetic acid; S-morpholino 4-hydroxysulfanyl-3,5-dimethoxy-benzenecarbothioate CAS Name: acetic acid; 2,6-dimethoxy-4-[(4-morpholinylthio)-oxomethyl]benzenesulfenic acid IUPAC Name: acetic acid; S-morpholin-4-yl 4-hydroxysulfanyl-3,5-dimethoxybenzenecarbothioate Traditional Name: acetic acid; 3,5-dimethoxy-4-sulfeno-thiobenzoic acid S-morpholino ester Formula: C15H21NO7S2 MolecularWeight: 391.45974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=CC(=CC(=C1SO)OC)C(=O)SN2CCOCC2

Isomeric SMILES

CC(=O)O.COC1=CC(=CC(=C1SO)OC)C(=O)SN2CCOCC2

InChI

InChI=1S/C13H17NO5S2.C2H4O2/c1-17-10-7-9(8-11(18-2)12(10)21-16)13(15)20-14-3-5-19-6-4-14;1-2(3)4/h7-8,16H,3-6H2,1-2H3;1H3,(H,3,4)