2-[(4-ethoxycarbonylphenyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(4-ethoxycarbonylphenyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(4-ethoxycarbonylphenyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[(4-ethoxycarbonylanilino)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(4-ethoxycarbonylphenyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[(4-carbethoxyphenyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(CN2C(=O)O)S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(CN2C(=O)O)S

InChI

InChI=1S/C15H18N2O5S/c1-2-22-14(19)9-3-5-10(6-4-9)16-13(18)12-7-11(23)8-17(12)15(20)21/h3-6,11-12,23H,2,7-8H2,1H3,(H,16,18)(H,20,21)