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

Systemtic Name: dimethyl 5-[(4-oxidanylidene-4-propoxy-butanoyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-oxo-4-propoxy-butanoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(1,4-dioxo-4-propoxybutyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-oxo-4-propoxybutanoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-keto-4-propoxy-butanoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S/c1-4-7-27-15(22)6-5-14(21)20-18(28)19-13-9-11(16(23)25-2)8-12(10-13)17(24)26-3/h8-10H,4-7H2,1-3H3,(H2,19,20,21,28)