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

Systemtic Name: methyl 4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]vinyl]benzoate CAS Name: 4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-2-thiazolyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]vinyl]benzoic acid methyl ester Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O4S/c1-27-20(24)15-4-2-13(3-5-15)10-16(11-21)19-22-18(12-28-19)14-6-8-17(9-7-14)23(25)26/h2-10,12H,1H3/b16-10+