diethyl 5-[2-(4-bromophenyl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-bromophenyl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-bromophenyl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H20BrNO5S2 MolecularWeight: 486.3998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrNO5S2/c1-4-25-18(23)15-11(3)16(19(24)26-5-2)28-17(15)21-14(22)10-27-13-8-6-12(20)7-9-13/h6-9H,4-5,10H2,1-3H3,(H,21,22)