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

Systemtic Name: methyl 4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(1,1-dioxothiolan-3-yl)carbamoylamino]acetyl]amino]benzoate CAS Name: 4-[[2-[[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1,1-dioxothiolan-3-yl)carbamoylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(1,1-diketothiolan-3-yl)carbamoylamino]acetyl]amino]benzoic acid methyl ester Formula: C15H19N3O6S MolecularWeight: 369.39286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6S/c1-24-14(20)10-2-4-11(5-3-10)17-13(19)8-16-15(21)18-12-6-7-25(22,23)9-12/h2-5,12H,6-9H2,1H3,(H,17,19)(H2,16,18,21)