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

Systemtic Name: 2-[(4-nitrophenyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid Openeye Name: 2-[4-nitro-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propanoic acid CAS Name: 2-(4-nitro-N-[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]anilino)propanoic acid IUPAC Name: 2-[4-nitro-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propanoic acid Traditional Name: 2-[4-nitro-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propionic acid Formula: C12H11N5O5S2 MolecularWeight: 369.37624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=NNC(=S)S2

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C12H11N5O5S2/c1-6(9(18)19)16(7-2-4-8(5-3-7)17(21)22)11(20)13-10-14-15-12(23)24-10/h2-6H,1H3,(H,15,23)(H,18,19)(H,13,14,20)