ethyl 4-[[(E)-3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(4-bromo-2-thienyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-bromo-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-bromo-2-thienyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CS2)Br)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CS2)Br)/C#N

InChI

InChI=1S/C17H13BrN2O3S/c1-2-23-17(22)11-3-5-14(6-4-11)20-16(21)12(9-19)7-15-8-13(18)10-24-15/h3-8,10H,2H2,1H3,(H,20,21)/b12-7+