sodium (E)-2-[(4-bromophenyl)carbamothioyl]-1,3-diethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: sodium (E)-2-[(4-bromophenyl)carbamothioyl]-1,3-diethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: sodium (E)-2-[(4-bromophenyl)carbamothioyl]-1,3-diethoxy-3-oxo-prop-1-en-1-olate CAS Name: sodium (E)-2-[(4-bromoanilino)-sulfanylidenemethyl]-1,3-diethoxy-3-oxo-1-propen-1-olate IUPAC Name: sodium (E)-2-[(4-bromophenyl)carbamothioyl]-1,3-diethoxy-3-oxoprop-1-en-1-olate Traditional Name: sodium (E)-2-[(4-bromophenyl)thiocarbamoyl]-1,3-diethoxy-3-keto-prop-1-en-1-olate Formula: C14H15BrNNaO4S MolecularWeight: 396.23197

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=S)NC1=CC=C(C=C1)Br)C(=O)OCC)[O-].[Na+]

Isomeric SMILES

CCO/C(=C(/C(=S)NC1=CC=C(C=C1)Br)\C(=O)OCC)/[O-].[Na+]

InChI

InChI=1S/C14H16BrNO4S.Na/c1-3-19-13(17)11(14(18)20-4-2)12(21)16-10-7-5-9(15)6-8-10;/h5-8,17H,3-4H2,1-2H3,(H,16,21);/q;+1/p-1/b13-11-;