O3-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-tert-butyl (3R)-piperidine-1,3-dicarboxylate

Systemtic Name: O3-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-tert-butyl (3R)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] (3R)-piperidine-1,3-dicarboxylate CAS Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3R)-piperidine-1,3-dicarboxylate Traditional Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C18H25N3O6S/c1-18(2,3)27-17(25)21-7-4-5-11(9-21)16(24)26-10-13(22)20-15-12(14(19)23)6-8-28-15/h6,8,11H,4-5,7,9-10H2,1-3H3,(H2,19,23)(H,20,22)/t11-/m1/s1