diethyl 2-[[(4-bromophenyl)amino]-sulfanyl-methylidene]propanedioate

Systemtic Name: diethyl 2-[[(4-bromophenyl)amino]-sulfanyl-methylidene]propanedioate Openeye Name: diethyl 2-[(4-bromoanilino)-sulfanyl-methylene]propanedioate CAS Name: 2-[(4-bromoanilino)-mercaptomethylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-bromoanilino)-sulfanylmethylidene]propanedioate Traditional Name: 2-[(4-bromoanilino)-mercapto-methylene]malonic acid diethyl ester Formula: C14H16BrNO4S MolecularWeight: 374.25014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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