3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate

Systemtic Name: 3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate Openeye Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isobutyl-amino]propanoate CAS Name: 3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanoate Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isobutyl-amino]propionate Formula: C16H20N3O2S- MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)[O-])C1=NC(=NS1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CCC(=O)[O-])C1=NC(=NS1)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c1-12(2)11-19(9-8-15(20)21)16-17-14(18-22-16)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,20,21)/p-1