ethyl 5-azanyl-4-cyano-3-[2-(4-methylphenyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(4-methylphenyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(p-tolyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(4-methylphenyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(4-methylphenyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(p-tolyl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=C(C=C2)C

InChI

InChI=1S/C18H18N2O4S/c1-3-23-18(22)16-14(13(9-19)17(20)25-16)10-24-15(21)8-12-6-4-11(2)5-7-12/h4-7H,3,8,10,20H2,1-2H3