ethyl 2-[6-azanyl-4-(3-bromophenyl)-5-cyano-2-thiophen-2-yl-pyridin-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-azanyl-4-(3-bromophenyl)-5-cyano-2-thiophen-2-yl-pyridin-3-yl]ethanoate Openeye Name: ethyl 2-[6-amino-4-(3-bromophenyl)-5-cyano-2-(2-thienyl)-3-pyridyl]acetate CAS Name: 2-[6-amino-4-(3-bromophenyl)-5-cyano-2-thiophen-2-yl-3-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-(3-bromophenyl)-5-cyano-2-thiophen-2-ylpyridin-3-yl]acetate Traditional Name: 2-[6-amino-4-(3-bromophenyl)-5-cyano-2-(2-thienyl)-3-pyridyl]acetic acid ethyl ester Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(C(=C1C2=CC(=CC=C2)Br)C#N)N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC1=C(N=C(C(=C1C2=CC(=CC=C2)Br)C#N)N)C3=CC=CS3

InChI

InChI=1S/C20H16BrN3O2S/c1-2-26-17(25)10-14-18(12-5-3-6-13(21)9-12)15(11-22)20(23)24-19(14)16-7-4-8-27-16/h3-9H,2,10H2,1H3,(H2,23,24)