3-[furan-2-ylmethyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid

Systemtic Name: 3-[furan-2-ylmethyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid Openeye Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-furylmethyl)amino]propanoic acid CAS Name: 3-[2-furanylmethyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(furan-2-ylmethyl)amino]propanoic acid Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-furfuryl)amino]propionic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NSC(=N2)N(CCC(=O)O)CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CC2=NSC(=N2)N(CCC(=O)O)CC3=CC=CO3

InChI

InChI=1S/C17H17N3O3S/c21-16(22)8-9-20(12-14-7-4-10-23-14)17-18-15(19-24-17)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,21,22)