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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-methyl-5-methylsulfonyl-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-methyl-5-methylsulfonyl-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2-methyl-5-methylsulfonylphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-methyl-5-methylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(5-mesyl-2-methyl-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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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)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S2/c1-4-25-18(22)15-14(13(8-19)16(20)27-15)9-26-17(21)12-7-11(28(3,23)24)6-5-10(12)2/h5-7H,4,9,20H2,1-3H3