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

Systemtic Name: ethyl 3-[(4-acetamidophenyl)carbonyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[(4-acetamidobenzoyl)oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[(4-acetamidophenyl)-oxomethoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetamidobenzoyl)oxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[(4-acetamidobenzoyl)oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-3-25-18(24)15-14(13(8-19)16(20)27-15)9-26-17(23)11-4-6-12(7-5-11)21-10(2)22/h4-7H,3,9,20H2,1-2H3,(H,21,22)