dimethyl 5-azanyl-3-[(2-bromophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-bromophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-bromophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(2-bromophenyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-bromophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(2-bromophenyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H14BrNO4S2 MolecularWeight: 416.30996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=CC=CC=C2Br)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=CC=CC=C2Br)C(=O)OC)N

InChI

InChI=1S/C15H14BrNO4S2/c1-20-14(18)11-8(12(15(19)21-2)23-13(11)17)7-22-10-6-4-3-5-9(10)16/h3-6H,7,17H2,1-2H3