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

Systemtic Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-keto-2-[(5-nosylthiazol-2-yl)amino]ethyl] ester Formula: C20H17N3O7S2 MolecularWeight: 475.49488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S2/c24-17(13-30-18(25)11-6-14-4-2-1-3-5-14)22-20-21-12-19(31-20)32(28,29)16-9-7-15(8-10-16)23(26)27/h1-5,7-10,12H,6,11,13H2,(H,21,22,24)