[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-14(2)22-19(24)15(3)27-21(25)18-13-17(16-7-5-4-6-8-16)20(28-18)23-9-11-26-12-10-23/h4-8,13-15H,9-12H2,1-3H3,(H,22,24)/t15-/m0/s1