dimethyl 5-azanyl-3-[(3-fluoranyl-4-methoxy-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(3-fluoranyl-4-methoxy-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-fluoro-4-methoxy-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-fluoro-4-methoxyphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-fluoro-4-methoxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-fluoro-4-methoxy-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16FNO7S MolecularWeight: 397.374843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)F

InChI

InChI=1S/C17H16FNO7S/c1-23-11-5-4-8(6-10(11)18)15(20)26-7-9-12(16(21)24-2)14(19)27-13(9)17(22)25-3/h4-6H,7,19H2,1-3H3