ethyl 5-azanyl-4-cyano-3-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(thiazol-4-ylmethoxy)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[3-(4-thiazolylmethoxy)phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-(thiazol-4-ylmethoxy)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

InChI

InChI=1S/C20H17N3O5S2/c1-2-26-20(25)17-16(15(7-21)18(22)30-17)9-28-19(24)12-4-3-5-14(6-12)27-8-13-10-29-11-23-13/h3-6,10-11H,2,8-9,22H2,1H3