ethyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20BrNO3S2 MolecularWeight: 442.3903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C18H20BrNO3S2/c1-4-14-11(3)25-17(16(14)18(22)23-5-2)20-15(21)10-24-13-8-6-12(19)7-9-13/h6-9H,4-5,10H2,1-3H3,(H,20,21)