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

Systemtic Name: 4-[[2-[(3-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[2-[(3-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[2-(mercaptomethyl)-3-(3-methoxyphenyl)-1-oxopropyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[2-[(3-methoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(2-m-anisyl-3-mercapto-propanoyl)amino]-1H-pyrrole-2-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CS)C(=O)NC2=CNC(=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(CS)C(=O)NC2=CNC(=C2)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-22-13-4-2-3-10(6-13)5-11(9-23)15(19)18-12-7-14(16(20)21)17-8-12/h2-4,6-8,11,17,23H,5,9H2,1H3,(H,18,19)(H,20,21)