2-methylpropyl 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-2-cyano-2-[4-(2-thienyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-2-thiazolyl)ethenyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-2-[4-(2-thienyl)thiazol-2-yl]vinyl]amino]benzoic acid isobutyl ester Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=CS3

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=CS3

InChI

InChI=1S/C21H19N3O2S2/c1-14(2)12-26-21(25)15-5-7-17(8-6-15)23-11-16(10-22)20-24-18(13-28-20)19-4-3-9-27-19/h3-9,11,13-14,23H,12H2,1-2H3/b16-11+