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

Systemtic Name: methyl 4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylsulfanylmethyl]benzoate Openeye Name: methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioylsulfanylmethyl]benzoate CAS Name: 4-[[[[[(3S)-1,1-dioxo-3-thiolanyl]amino]-sulfanylidenemethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioylsulfanylmethyl]benzoate Traditional Name: 4-[[[(3S)-1,1-diketothiolan-3-yl]thiocarbamoylthio]methyl]benzoic acid methyl ester Formula: C14H17NO4S3 MolecularWeight: 359.48408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC(=S)NC2CCS(=O)(=O)C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC(=S)N[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C14H17NO4S3/c1-19-13(16)11-4-2-10(3-5-11)8-21-14(20)15-12-6-7-22(17,18)9-12/h2-5,12H,6-9H2,1H3,(H,15,20)/t12-/m0/s1