dimethyl 5-(2,2-dimethylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2,2-dimethylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2,2-dimethylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2,2-dimethylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(pivaloylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-16(2,3)14(21)18-15(24)17-11-7-9(12(19)22-4)6-10(8-11)13(20)23-5/h6-8H,1-5H3,(H2,17,18,21,24)