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

Systemtic Name: 2-[3-(3-bromophenyl)propanoylamino]thiophene-3-carboxylic acid Openeye Name: 2-[3-(3-bromophenyl)propanoylamino]thiophene-3-carboxylic acid CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[3-(3-bromophenyl)propanoylamino]thiophene-3-carboxylic acid Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]-3-thenoic acid Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrNO3S/c15-10-3-1-2-9(8-10)4-5-12(17)16-13-11(14(18)19)6-7-20-13/h1-3,6-8H,4-5H2,(H,16,17)(H,18,19)