[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C=CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=C(SC(=C1)Br)/C=C/C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H11BrN2O3S/c13-10-4-2-9(19-10)3-5-12(17)18-8-11(16)15-7-1-6-14/h2-5H,1,7-8H2,(H,15,16)/b5-3+