prop-2-ynyl 4-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(4-fluoro-3-nitro-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-fluoro-3-nitroanilino)-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-fluoro-3-nitro-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C19H17FN4O5S MolecularWeight: 432.425483

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O5S/c1-2-9-29-19(26)23-7-5-12(6-8-23)18-22-15(11-30-18)17(25)21-13-3-4-14(20)16(10-13)24(27)28/h1,3-4,10-12H,5-9H2,(H,21,25)