3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate

Systemtic Name: 3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate Openeye Name: 3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate CAS Name: 3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate IUPAC Name: 3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate Traditional Name: 3-[butyl-(3-m-anisyl-1,2,4-thiadiazol-5-yl)amino]propionate Formula: C17H22N3O3S- MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)[O-])C1=NC(=NS1)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCN(CCC(=O)[O-])C1=NC(=NS1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H23N3O3S/c1-3-4-9-20(10-8-16(21)22)17-18-15(19-24-17)12-13-6-5-7-14(11-13)23-2/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,21,22)/p-1