tert-butyl 2-[4-ethoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-5-carboxylate

Systemtic Name: tert-butyl 2-[4-ethoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-5-carboxylate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-4-ethoxy-4-oxo-butyl]thiazole-5-carboxylate CAS Name: 2-[4-ethoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-5-thiazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-ethoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(benzyloxycarbonylamino)-4-ethoxy-4-keto-butyl]thiazole-5-carboxylic acid tert-butyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=NC=C(S1)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCC1=NC=C(S1)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-5-28-19(25)16(24-21(27)29-14-15-9-7-6-8-10-15)11-12-18-23-13-17(31-18)20(26)30-22(2,3)4/h6-10,13,16H,5,11-12,14H2,1-4H3,(H,24,27)