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

Systemtic Name: ethyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22BrNO3S2 MolecularWeight: 456.41688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H22BrNO3S2/c1-4-24-19(23)17-13(9-12(2)3)10-26-18(17)21-16(22)11-25-15-7-5-14(20)6-8-15/h5-8,10,12H,4,9,11H2,1-3H3,(H,21,22)