3-[5-(4-chlorophenyl)-1-(thiophen-2-ylcarbonylamino)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-chlorophenyl)-1-(thiophen-2-ylcarbonylamino)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-chlorophenyl)-1-(thiophene-2-carbonylamino)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-chlorophenyl)-1-[[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-chlorophenyl)-1-(thiophene-2-carbonylamino)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-chlorophenyl)-1-(2-thenoylamino)pyrrol-2-yl]propionic acid Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C18H15ClN2O3S/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)