prop-2-ynyl 4-[4-[(2-nitrophenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(2-nitrophenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(2-nitrophenyl)methylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(2-nitrophenyl)methylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(2-nitrophenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-nitrobenzyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-2-11-29-20(26)23-9-7-14(8-10-23)19-22-16(13-30-19)18(25)21-12-15-5-3-4-6-17(15)24(27)28/h1,3-6,13-14H,7-12H2,(H,21,25)