methyl (3R,4S)-4-imidazol-1-ylcarbothioyloxythiane-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-imidazol-1-ylcarbothioyloxythiane-3-carboxylate Openeye Name: methyl (3R,4S)-4-(imidazole-1-carbothioyloxy)tetrahydrothiopyran-3-carboxylate CAS Name: (3R,4S)-4-[1-imidazolyl(sulfanylidene)methoxy]-3-thianecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(imidazole-1-carbothioyloxy)thiane-3-carboxylate Traditional Name: (3R,4S)-4-(imidazole-1-carbothioyloxy)tetrahydrothiopyran-3-carboxylic acid methyl ester Formula: C11H14N2O3S2 MolecularWeight: 286.37046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSCCC1OC(=S)N2C=CN=C2

Isomeric SMILES

COC(=O)[C@@H]1CSCC[C@@H]1OC(=S)N2C=CN=C2

InChI

InChI=1S/C11H14N2O3S2/c1-15-10(14)8-6-18-5-2-9(8)16-11(17)13-4-3-12-7-13/h3-4,7-9H,2,5-6H2,1H3/t8-,9+/m1/s1