3-(2,3-dihydro-1-benzofuran-5-yl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-(2,3-dihydrobenzofuran-5-yl)-3-[[2-oxo-1-(2-thienylmethyl)-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-(2,3-dihydrobenzofuran-5-yl)-3-[[oxo-[[2-oxo-1-(thiophen-2-ylmethyl)-3-pyridinyl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-3-[[2-oxo-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-coumaran-5-yl-3-[[2-keto-1-(2-thenyl)-3-pyridyl]carbamoylamino]propionic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(CC(=O)O)NC(=O)NC3=CC=CN(C3=O)CC4=CC=CS4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(CC(=O)O)NC(=O)NC3=CC=CN(C3=O)CC4=CC=CS4

InChI

InChI=1S/C22H21N3O5S/c26-20(27)12-18(14-5-6-19-15(11-14)7-9-30-19)24-22(29)23-17-4-1-8-25(21(17)28)13-16-3-2-10-31-16/h1-6,8,10-11,18H,7,9,12-13H2,(H,26,27)(H2,23,24,29)