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

Systemtic Name: 2-diethylaminoethyl 4-[[2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-cyano-2-[4-(3-nitrophenyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 4-[[2-cyano-2-[4-(3-nitrophenyl)-2-thiazolyl]ethenyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Traditional Name: 4-[[2-cyano-2-[4-(3-nitrophenyl)thiazol-2-yl]vinyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C25H25N5O4S MolecularWeight: 491.5621

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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)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O4S/c1-3-29(4-2)12-13-34-25(31)18-8-10-21(11-9-18)27-16-20(15-26)24-28-23(17-35-24)19-6-5-7-22(14-19)30(32)33/h5-11,14,16-17,27H,3-4,12-13H2,1-2H3