[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H10BrNO3S MolecularWeight: 376.2245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)C2=CC=C(S2)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)C2=CC=C(S2)Br)C#N

InChI

InChI=1S/C16H10BrNO3S/c17-15-7-6-14(22-15)13(19)10-21-16(20)8-5-11-1-3-12(9-18)4-2-11/h1-8H,10H2/b8-5+