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

Systemtic Name: propan-2-yl 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-15(2)27-22(26)17-8-10-19(11-9-17)24-13-18(12-23)21-25-20(14-28-21)16-6-4-3-5-7-16/h3-11,13-15,24H,1-2H3/b18-13+