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

Systemtic Name: dimethyl 5-azanyl-3-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-chloro-4-fluorophenyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3-chloro-4-fluoro-phenyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H13ClFNO4S2 MolecularWeight: 389.849423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=CC(=C(C=C2)F)Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=CC(=C(C=C2)F)Cl)C(=O)OC)N

InChI

InChI=1S/C15H13ClFNO4S2/c1-21-14(19)11-8(12(15(20)22-2)24-13(11)18)6-23-7-3-4-10(17)9(16)5-7/h3-5H,6,18H2,1-2H3