ethyl 4-[(1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-(hydroxymethyl)-2-methoxy-2-oxo-ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2-keto-2-methoxy-1-methylol-ethyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(CO)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(CO)C(=O)OC

InChI

InChI=1S/C14H18N2O5S/c1-3-21-12(18)9-4-6-10(7-5-9)15-14(22)16-11(8-17)13(19)20-2/h4-7,11,17H,3,8H2,1-2H3,(H2,15,16,22)