methyl 4-[[(1R,4R,5S,6S,7S)-6,7-bis(oxidanyl)-8-oxa-3-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzenecarboximidothioate

Systemtic Name: methyl 4-[[(1R,4R,5S,6S,7S)-6,7-bis(oxidanyl)-8-oxa-3-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzenecarboximidothioate Openeye Name: methyl 4-[[(1R,4R,5S,6S,7S)-6,7-dihydroxy-8-oxa-3-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzenecarboximidothioate CAS Name: 4-[[(1R,4R,5S,6S,7S)-6,7-dihydroxy-8-oxa-3-thiabicyclo[3.2.1]octan-4-yl]thio]benzenecarboximidothioic acid methyl ester IUPAC Name: methyl 4-[[(1R,4R,5S,6S,7S)-6,7-dihydroxy-8-oxa-3-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzenecarboximidothioate Traditional Name: 4-[[(1R,4R,5S,6S,7S)-6,7-dihydroxy-8-oxa-3-thiabicyclo[3.2.1]octan-4-yl]thio]benzenecarboximidothioic acid methyl ester Formula: C14H17NO3S3 MolecularWeight: 343.48468

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)C1=CC=C(C=C1)SC2C3C(C(C(O3)CS2)O)O

Isomeric SMILES

CSC(=N)C1=CC=C(C=C1)S[C@@H]2[C@@H]3[C@H]([C@@H]([C@@H](O3)CS2)O)O

InChI

InChI=1S/C14H17NO3S3/c1-19-13(15)7-2-4-8(5-3-7)21-14-12-11(17)10(16)9(18-12)6-20-14/h2-5,9-12,14-17H,6H2,1H3/t9-,10+,11-,12-,14+/m0/s1