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

Systemtic Name: butyl 4-[[(E)-2-cyano-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-2-3-10-25-20(24)15-6-8-17(9-7-15)22-12-16(11-21)19-23-18(13-26-19)14-4-5-14/h6-9,12-14,22H,2-5,10H2,1H3/b16-12+