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

Systemtic Name: ethyl 2-[2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoyl-(3-nitrophenyl)amino]ethanoate Openeye Name: ethyl 2-(N-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetyl]-3-nitro-anilino)acetate CAS Name: 2-(N-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-1-oxoethyl]-3-nitroanilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetyl]-3-nitroanilino)acetate Traditional Name: 2-(N-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetyl]-3-nitro-anilino)acetic acid ethyl ester Formula: C30H23BrN4O5S MolecularWeight: 631.49642

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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)Br)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)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H23BrN4O5S/c1-2-40-29(37)18-34(23-9-6-10-24(15-23)35(38)39)28(36)19-41-30-26(17-32)25(20-7-4-3-5-8-20)16-27(33-30)21-11-13-22(31)14-12-21/h3-16H,2,18-19H2,1H3