dimethyl 5-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-methoxy-4-oxo-butanoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(4-methoxy-1,4-dioxobutyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-methoxy-4-oxobutanoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-keto-4-methoxy-butanoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7S/c1-23-13(20)5-4-12(19)18-16(26)17-11-7-9(14(21)24-2)6-10(8-11)15(22)25-3/h6-8H,4-5H2,1-3H3,(H2,17,18,19,26)