methyl 4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[(3S)-1,1-dioxo-3-thiolanyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[(3S)-1,1-diketothiolan-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C14H17NO5S2 MolecularWeight: 343.41848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2CCS(=O)(=O)C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CS[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C14H17NO5S2/c1-20-14(17)10-2-4-11(5-3-10)15-13(16)8-21-12-6-7-22(18,19)9-12/h2-5,12H,6-9H2,1H3,(H,15,16)/t12-/m0/s1