ethyl 2-cyano-2-[5-(4-nitrophenyl)carbonyl-2-phenyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[5-(4-nitrophenyl)carbonyl-2-phenyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[5-(4-nitrobenzoyl)-2-phenyl-thiazol-4-yl]acetate CAS Name: 2-cyano-2-[5-[(4-nitrophenyl)-oxomethyl]-2-phenyl-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[5-(4-nitrobenzoyl)-2-phenyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-cyano-2-[5-(4-nitrobenzoyl)-2-phenyl-thiazol-4-yl]acetic acid ethyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C#N)C1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c1-2-29-21(26)16(12-22)17-19(30-20(23-17)14-6-4-3-5-7-14)18(25)13-8-10-15(11-9-13)24(27)28/h3-11,16H,2H2,1H3