methyl 4-[(2-oxidanylideneoxolan-3-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-oxidanylideneoxolan-3-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(2-oxotetrahydrofuran-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(2-oxo-3-oxolanyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-oxooxolan-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2-ketotetrahydrofuran-3-yl)thiocarbamoylamino]benzoic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC2CCOC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC2CCOC2=O

InChI

InChI=1S/C13H14N2O4S/c1-18-11(16)8-2-4-9(5-3-8)14-13(20)15-10-6-7-19-12(10)17/h2-5,10H,6-7H2,1H3,(H2,14,15,20)