ethyl 5-azanyl-4-cyano-3-[(2-methylsulfonylphenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-methylsulfonylphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-methylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2-methylsulfonylphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-methylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-mesylbenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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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=C2S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H16N2O6S2/c1-3-24-17(21)14-12(11(8-18)15(19)26-14)9-25-16(20)10-6-4-5-7-13(10)27(2,22)23/h4-7H,3,9,19H2,1-2H3