3-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[2-[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]phenyl]propionic acid Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)O)C(=O)NC2=NNC(=S)S2

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)O)C(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C12H11N3O3S2/c16-9(17)6-5-7-3-1-2-4-8(7)10(18)13-11-14-15-12(19)20-11/h1-4H,5-6H2,(H,15,19)(H,16,17)(H,13,14,18)