3-[1-[(2-bromophenyl)carbonylamino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(2-bromophenyl)carbonylamino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(2-bromobenzoyl)amino]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[(2-bromophenyl)-oxomethyl]amino]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(2-bromobenzoyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[(2-bromobenzoyl)amino]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O)Br

InChI

InChI=1S/C18H15BrN2O3S/c19-14-5-2-1-4-13(14)18(24)20-21-12(8-10-17(22)23)7-9-15(21)16-6-3-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)