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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(4-chlorophenyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-[(4-chlorophenyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17BrClNO3S2 MolecularWeight: 510.85158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17BrClNO3S2/c1-2-27-21(26)19-17(13-3-5-14(22)6-4-13)11-29-20(19)24-18(25)12-28-16-9-7-15(23)8-10-16/h3-11H,2,12H2,1H3,(H,24,25)