4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5-nosylthiazol-2-yl)amino]butyric acid Formula: C13H11N3O7S2 MolecularWeight: 385.37234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H11N3O7S2/c17-10(5-6-11(18)19)15-13-14-7-12(24-13)25(22,23)9-3-1-8(2-4-9)16(20)21/h1-4,7H,5-6H2,(H,18,19)(H,14,15,17)