3-(4-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethanoylamino)propanoic acid

Systemtic Name: 3-(4-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethanoylamino)propanoic acid Openeye Name: 3-(4-isopropoxyphenyl)-3-[[2-(2-thienyl)acetyl]amino]propanoic acid CAS Name: 3-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoic acid Traditional Name: 3-(4-isopropoxyphenyl)-3-[[2-(2-thienyl)acetyl]amino]propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CS2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CS2

InChI

InChI=1S/C18H21NO4S/c1-12(2)23-14-7-5-13(6-8-14)16(11-18(21)22)19-17(20)10-15-4-3-9-24-15/h3-9,12,16H,10-11H2,1-2H3,(H,19,20)(H,21,22)