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

Systemtic Name: 2-diethylaminoethyl 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(E)-2-cyano-2-[4-(2-thienyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-2-thiazolyl)ethenyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-2-[4-(2-thienyl)thiazol-2-yl]vinyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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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=CS3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=CS3

InChI

InChI=1S/C23H24N4O2S2/c1-3-27(4-2)11-12-29-23(28)17-7-9-19(10-8-17)25-15-18(14-24)22-26-20(16-31-22)21-6-5-13-30-21/h5-10,13,15-16,25H,3-4,11-12H2,1-2H3/b18-15+