2-[[2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(2,3-dihydrobenzofuran-5-ylmethyl)-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-(2,3-dihydrobenzofuran-5-ylmethyl)-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-(coumaran-5-ylmethyl)-3-mercapto-propanoyl]amino]acetic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CC(CS)C(=O)NCC(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CC(CS)C(=O)NCC(=O)O

InChI

InChI=1S/C14H17NO4S/c16-13(17)7-15-14(18)11(8-20)6-9-1-2-12-10(5-9)3-4-19-12/h1-2,5,11,20H,3-4,6-8H2,(H,15,18)(H,16,17)