4-[[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(2-pyrrol-1-ylthiazol-4-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-[2-(1-pyrrolyl)-4-thiazolyl]ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(2-pyrrol-1-ylthiazol-4-yl)acetyl]amino]methyl]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15N3O3S/c21-15(18-10-12-3-5-13(6-4-12)16(22)23)9-14-11-24-17(19-14)20-7-1-2-8-20/h1-8,11H,9-10H2,(H,18,21)(H,22,23)