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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3S2/c1-4-23-18(22)14-9-15(11(2)3)25-17(14)20-16(21)10-24-13-7-5-12(19)6-8-13/h5-9,11H,4,10H2,1-3H3,(H,20,21)