diethyl 2-[(3-bromophenyl)carbamothioyl]propanedioate

Systemtic Name: diethyl 2-[(3-bromophenyl)carbamothioyl]propanedioate Openeye Name: diethyl 2-[(3-bromophenyl)carbamothioyl]propanedioate CAS Name: 2-[(3-bromoanilino)-sulfanylidenemethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-bromophenyl)carbamothioyl]propanedioate Traditional Name: 2-[(3-bromophenyl)thiocarbamoyl]malonic acid diethyl ester Formula: C14H16BrNO4S MolecularWeight: 374.25014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=S)NC1=CC(=CC=C1)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=S)NC1=CC(=CC=C1)Br)C(=O)OCC

InChI

InChI=1S/C14H16BrNO4S/c1-3-19-13(17)11(14(18)20-4-2)12(21)16-10-7-5-6-9(15)8-10/h5-8,11H,3-4H2,1-2H3,(H,16,21)