ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-thiophen-2-yl-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-thiophen-2-yl-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-thienyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-thienyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H15BrN2O3S2 MolecularWeight: 487.3894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC=CS3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)/C(=C/C3=CC=CS3)/C#N

InChI

InChI=1S/C21H15BrN2O3S2/c1-2-27-21(26)18-17(13-5-7-15(22)8-6-13)12-29-20(18)24-19(25)14(11-23)10-16-4-3-9-28-16/h3-10,12H,2H2,1H3,(H,24,25)/b14-10+