2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazol-4-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazol-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]thiazol-4-yl]-2-oxo-acetic acid CAS Name: 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)-1-oxopropyl]amino]-4-thiazolyl]-2-oxoacetic acid IUPAC Name: 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazol-4-yl]-2-oxoacetic acid Traditional Name: 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]thiazol-4-yl]-2-keto-acetic acid Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)C(=O)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)C(=O)C(=O)O

InChI

InChI=1S/C19H19N3O6S/c23-16(18(25)26)15-10-29-19(20-15)21-17(24)14(9-11-3-1-2-4-11)12-5-7-13(8-6-12)22(27)28/h5-8,10-11,14H,1-4,9H2,(H,25,26)(H,20,21,24)