(1S,2R)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[5-methyl-4-(4-propylphenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate Formula: C21H25N2O3S- MolecularWeight: 385.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3CCCCC3C(=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])C

InChI

InChI=1S/C21H26N2O3S/c1-3-6-14-9-11-15(12-10-14)18-13(2)27-21(22-18)23-19(24)16-7-4-5-8-17(16)20(25)26/h9-12,16-17H,3-8H2,1-2H3,(H,25,26)(H,22,23,24)/p-1/t16-,17+/m1/s1