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

Systemtic Name: methyl 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[(1,1-dioxothiolan-3-yl)carbamoylamino]methyl]benzoate CAS Name: 4-[[[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1,1-dioxothiolan-3-yl)carbamoylamino]methyl]benzoate Traditional Name: 4-[[(1,1-diketothiolan-3-yl)carbamoylamino]methyl]benzoic acid methyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C14H18N2O5S/c1-21-13(17)11-4-2-10(3-5-11)8-15-14(18)16-12-6-7-22(19,20)9-12/h2-5,12H,6-9H2,1H3,(H2,15,16,18)