ethyl 2-[[cyclohexyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[cyclohexyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(2R)-1-oxo-2-phenylbutyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-3-19(17-11-7-5-8-12-17)22(26)25(18-13-9-6-10-14-18)15-21-24-20(16-29-21)23(27)28-4-2/h5,7-8,11-12,16,18-19H,3-4,6,9-10,13-15H2,1-2H3/t19-/m1/s1