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

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

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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=C2CSC3=NC(=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C

InChI

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