tert-butyl 4-[(E)-1-[5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]prop-1-en-2-yl]benzoate

Systemtic Name: tert-butyl 4-[(E)-1-[5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]prop-1-en-2-yl]benzoate Openeye Name: tert-butyl 4-[(E)-2-[5-cyano-6-(4-nitrophenyl)sulfanyl-3-pyridyl]-1-methyl-vinyl]benzoate CAS Name: 4-[(E)-1-[5-cyano-6-[(4-nitrophenyl)thio]-3-pyridinyl]prop-1-en-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-1-[5-cyano-6-(4-nitrophenyl)sulfanylpyridin-3-yl]prop-1-en-2-yl]benzoate Traditional Name: 4-[(E)-2-[5-cyano-6-[(4-nitrophenyl)thio]-3-pyridyl]-1-methyl-vinyl]benzoic acid tert-butyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN=C(C(=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

C/C(=C\C1=CN=C(C(=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H23N3O4S/c1-17(19-5-7-20(8-6-19)25(30)33-26(2,3)4)13-18-14-21(15-27)24(28-16-18)34-23-11-9-22(10-12-23)29(31)32/h5-14,16H,1-4H3/b17-13+