methyl 5-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(2-amino-4-bromo-phenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(2-amino-4-bromophenyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-amino-4-bromophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(2-amino-4-bromo-phenyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=C(C=C(C=C2)Br)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C13H12BrNO3S/c1-17-13(16)11-4-3-9(18-11)7-19-12-5-2-8(14)6-10(12)15/h2-6H,7,15H2,1H3