ethyl 5-azanyl-4-cyano-3-[[2-(phenylcarbamoyl)phenoxy]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(phenylcarbamoyl)phenoxy]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(phenylcarbamoyl)phenoxy]methyl]thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-[anilino(oxo)methyl]phenoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(phenylcarbamoyl)phenoxy]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(phenylcarbamoyl)phenoxy]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-2-28-22(27)19-17(16(12-23)20(24)30-19)13-29-18-11-7-6-10-15(18)21(26)25-14-8-4-3-5-9-14/h3-11H,2,13,24H2,1H3,(H,25,26)