ethyl 2-[2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoyl-(3-nitrophenyl)amino]ethanoate

Systemtic Name: ethyl 2-[2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoyl-(3-nitrophenyl)amino]ethanoate Openeye Name: ethyl 2-(N-[2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetyl]-3-nitro-anilino)acetate CAS Name: 2-(N-[2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]-1-oxoethyl]-3-nitroanilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetyl]-3-nitroanilino)acetate Traditional Name: 2-(N-[2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]acetyl]-3-nitro-anilino)acetic acid ethyl ester Formula: C31H26N4O6S MolecularWeight: 582.62634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C31H26N4O6S/c1-3-41-30(37)19-34(23-10-7-11-24(16-23)35(38)39)29(36)20-42-31-27(18-32)26(21-8-5-4-6-9-21)17-28(33-31)22-12-14-25(40-2)15-13-22/h4-17H,3,19-20H2,1-2H3