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

Systemtic Name: dimethyl 5-[(4-ethoxy-4-oxidanylidene-butanoyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-ethoxy-4-oxo-butanoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(4-ethoxy-1,4-dioxobutyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-ethoxy-4-oxobutanoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-ethoxy-4-keto-butanoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-4-26-14(21)6-5-13(20)19-17(27)18-12-8-10(15(22)24-2)7-11(9-12)16(23)25-3/h7-9H,4-6H2,1-3H3,(H2,18,19,20,27)