ethyl 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-cyano-2-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C17H13BrN2O4S/c1-2-24-17(23)13-7-11(8-19)16(20-15(13)22)25-9-14(21)10-3-5-12(18)6-4-10/h3-7H,2,9H2,1H3,(H,20,22)