ethyl 5-azanyl-3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H17BrN2O4S2 MolecularWeight: 469.37258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C18H17BrN2O4S2/c1-3-24-18(23)16-13(12(7-20)17(21)27-16)8-25-15(22)9-26-14-5-4-11(19)6-10(14)2/h4-6H,3,8-9,21H2,1-2H3