methyl 2-[[4-(4-bromophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-bromophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(4-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-bromophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester Formula: C15H13BrN2O3S MolecularWeight: 381.24432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C15H13BrN2O3S/c1-21-14(20)8-22-15-12(7-17)11(6-13(19)18-15)9-2-4-10(16)5-3-9/h2-5,11H,6,8H2,1H3,(H,18,19)