dimethyl 5-azanyl-3-[3-(4-fluorophenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(4-fluorophenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(4-fluorophenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-(4-fluorophenyl)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(4-fluorophenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(4-fluorophenyl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCC2=CC=C(C=C2)F)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCC2=CC=C(C=C2)F)C(=O)OC)N

InChI

InChI=1S/C18H18FNO6S/c1-24-17(22)14-12(15(18(23)25-2)27-16(14)20)9-26-13(21)8-5-10-3-6-11(19)7-4-10/h3-4,6-7H,5,8-9,20H2,1-2H3