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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(3-methylphenoxy)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(3-methylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(3-methylphenoxy)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(3-methylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(3-methylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC=CC(=C2)C

InChI

InChI=1S/C18H18N2O5S/c1-3-23-18(22)16-14(13(8-19)17(20)26-16)9-25-15(21)10-24-12-6-4-5-11(2)7-12/h4-7H,3,9-10,20H2,1-2H3