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

Systemtic Name: 2-methylpropyl 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-2-(4-phenyl-2-thiazolyl)ethenyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]amino]benzoic acid isobutyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S/c1-16(2)14-28-23(27)18-8-10-20(11-9-18)25-13-19(12-24)22-26-21(15-29-22)17-6-4-3-5-7-17/h3-11,13,15-16,25H,14H2,1-2H3/b19-13+