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

Systemtic Name: 2-diethylaminoethyl 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 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-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S/c1-3-29(4-2)14-15-31-25(30)20-10-12-22(13-11-20)27-17-21(16-26)24-28-23(18-32-24)19-8-6-5-7-9-19/h5-13,17-18,27H,3-4,14-15H2,1-2H3/b21-17+