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

Systemtic Name: 2-diethylaminoethyl 4-[[2-cyano-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-cyano-2-[4-(2-naphthyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 4-[[2-cyano-2-[4-(2-naphthalenyl)-2-thiazolyl]ethenyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-cyano-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Traditional Name: 4-[[2-cyano-2-[4-(2-naphthyl)thiazol-2-yl]vinyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C29H28N4O2S MolecularWeight: 496.62322

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H28N4O2S/c1-3-33(4-2)15-16-35-29(34)22-11-13-26(14-12-22)31-19-25(18-30)28-32-27(20-36-28)24-10-9-21-7-5-6-8-23(21)17-24/h5-14,17,19-20,31H,3-4,15-16H2,1-2H3