2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]thiazole-4-carboxylic acid CAS Name: 2-[[3-cyclopentyl-2-(4-nitrophenyl)-1-oxopropyl]amino]-4-thiazolecarboxylic acid IUPAC Name: 2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]thiazole-4-carboxylic acid Formula: C18H19N3O5S MolecularWeight: 389.42556

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c22-16(20-18-19-15(10-27-18)17(23)24)14(9-11-3-1-2-4-11)12-5-7-13(8-6-12)21(25)26/h5-8,10-11,14H,1-4,9H2,(H,23,24)(H,19,20,22)