ethyl 3-[[4-(4-acetyloxyphenyl)phenyl]carbonyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[4-(4-acetyloxyphenyl)phenyl]carbonyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-(4-acetoxyphenyl)benzoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[[4-(4-acetyloxyphenyl)phenyl]-oxomethoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-acetyloxyphenyl)benzoyl]oxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[4-(4-acetoxyphenyl)benzoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C24H20N2O6S MolecularWeight: 464.4904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C24H20N2O6S/c1-3-30-24(29)21-20(19(12-25)22(26)33-21)13-31-23(28)17-6-4-15(5-7-17)16-8-10-18(11-9-16)32-14(2)27/h4-11H,3,13,26H2,1-2H3