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

Systemtic Name: butyl 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S2/c1-2-3-10-26-21(25)15-6-8-17(9-7-15)23-13-16(12-22)20-24-18(14-28-20)19-5-4-11-27-19/h4-9,11,13-14,23H,2-3,10H2,1H3/b16-13+