4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]-3-thenoic acid Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H18BrNO4S/c1-27-16-9-2-13(3-10-16)4-11-18(24)23-20-19(21(25)26)17(12-28-20)14-5-7-15(22)8-6-14/h2-3,5-10,12H,4,11H2,1H3,(H,23,24)(H,25,26)