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

Systemtic Name: 2-methylpropyl 4-[[(E)-2-cyano-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-2-cyano-2-(4-cyclopropylthiazol-2-yl)vinyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-2-(4-cyclopropyl-2-thiazolyl)ethenyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-2-cyano-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-2-(4-cyclopropylthiazol-2-yl)vinyl]amino]benzoic acid isobutyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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)C3CC3

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3CC3

InChI

InChI=1S/C20H21N3O2S/c1-13(2)11-25-20(24)15-5-7-17(8-6-15)22-10-16(9-21)19-23-18(12-26-19)14-3-4-14/h5-8,10,12-14,22H,3-4,11H2,1-2H3/b16-10+