methyl 4-[[(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[[(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]methylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl]methylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methylcarbamothioylsulfanyl]butanoate Traditional Name: 4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]methylthiocarbamoylthio]butyric acid methyl ester Formula: C12H21NO5S2 MolecularWeight: 323.42884

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)CNC(=S)SCCCC(=O)OC)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@H](O1)CNC(=S)SCCCC(=O)OC)O)O

InChI

InChI=1S/C12H21NO5S2/c1-7-10(15)11(16)8(18-7)6-13-12(19)20-5-3-4-9(14)17-2/h7-8,10-11,15-16H,3-6H2,1-2H3,(H,13,19)/t7-,8-,10-,11+/m1/s1