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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-[(2-methylthiazol-4-yl)methoxy]benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-[(2-methylthiazol-4-yl)methoxy]benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S2/c1-3-27-21(26)18-17(16(8-22)19(23)31-18)10-29-20(25)13-4-6-15(7-5-13)28-9-14-11-30-12(2)24-14/h4-7,11H,3,9-10,23H2,1-2H3