4-[[2-[(4-chlorophenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[2-[(4-chlorophenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[2-[(4-chlorophenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[2-[(4-chlorophenyl)methyl]-3-mercapto-1-oxopropyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[2-[(4-chlorophenyl)methyl]-3-sulfanylpropanoyl]amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[2-(4-chlorobenzyl)-3-mercapto-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Formula: C15H15ClN2O3S MolecularWeight: 338.8092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)C(=O)NC2=CNC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(CS)C(=O)NC2=CNC(=C2)C(=O)O)Cl

InChI

InChI=1S/C15H15ClN2O3S/c16-11-3-1-9(2-4-11)5-10(8-22)14(19)18-12-6-13(15(20)21)17-7-12/h1-4,6-7,10,17,22H,5,8H2,(H,18,19)(H,20,21)