ethyl 5-azanyl-3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(2-chloro-5-methylsulfanyl-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(2-chloro-5-methylsulfanylbenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-chloro-5-(methylthio)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H15ClN2O4S2 MolecularWeight: 410.895

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C17H15ClN2O4S2/c1-3-23-17(22)14-12(11(7-19)15(20)26-14)8-24-16(21)10-6-9(25-2)4-5-13(10)18/h4-6H,3,8,20H2,1-2H3