ethyl 2-[(2S)-2-(1-phenylbutan-2-yloxycarbonylamino)hexanoyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(2S)-2-(1-phenylbutan-2-yloxycarbonylamino)hexanoyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(2S)-2-(1-benzylpropoxycarbonylamino)hexanoyl]thiazole-4-carboxylate CAS Name: 2-[(2S)-1-oxo-2-[[oxo(1-phenylbutan-2-yloxy)methyl]amino]hexyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-2-(1-phenylbutan-2-yloxycarbonylamino)hexanoyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2S)-2-(1-benzylpropoxycarbonylamino)hexanoyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1=NC(=CS1)C(=O)OCC)NC(=O)OC(CC)CC2=CC=CC=C2

Isomeric SMILES

CCCC[C@@H](C(=O)C1=NC(=CS1)C(=O)OCC)NC(=O)OC(CC)CC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O5S/c1-4-7-13-18(20(26)21-24-19(15-31-21)22(27)29-6-3)25-23(28)30-17(5-2)14-16-11-9-8-10-12-16/h8-12,15,17-18H,4-7,13-14H2,1-3H3,(H,25,28)/t17?,18-/m0/s1