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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(2-methylthiazol-4-yl)methylthio]benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H19N3O4S3 MolecularWeight: 473.58826

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=CC=C2SCC3=CSC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C

InChI

InChI=1S/C21H19N3O4S3/c1-3-27-21(26)18-16(15(8-22)19(23)31-18)9-28-20(25)14-6-4-5-7-17(14)30-11-13-10-29-12(2)24-13/h4-7,10H,3,9,11,23H2,1-2H3