ethyl 5-azanyl-4-cyano-3-[2-(3,4-dimethylphenyl)sulfanylethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(3,4-dimethylphenyl)sulfanylethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(3,4-dimethylphenyl)sulfanylacetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(3,4-dimethylphenyl)sulfanylacetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(3,4-dimethylphenyl)thio]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S2/c1-4-24-19(23)17-15(14(8-20)18(21)27-17)9-25-16(22)10-26-13-6-5-11(2)12(3)7-13/h5-7H,4,9-10,21H2,1-3H3