dimethyl 5-(ethanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(ethanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(acetylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[acetamido(sulfanylidene)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(acetylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(acetylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H14N2O5S/c1-7(16)14-13(21)15-10-5-8(11(17)19-2)4-9(6-10)12(18)20-3/h4-6H,1-3H3,(H2,14,15,16,21)