ethyl 5-azanyl-3-(2-benzamidoethanoyloxymethyl)-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(2-benzamidoethanoyloxymethyl)-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(2-benzamidoacetyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(2-benzamido-1-oxoethoxy)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(2-benzamidoacetyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(hippuroyloxymethyl)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)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-2-25-18(24)15-13(12(8-19)16(20)27-15)10-26-14(22)9-21-17(23)11-6-4-3-5-7-11/h3-7H,2,9-10,20H2,1H3,(H,21,23)