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

Systemtic Name: (1S,2R)-2-[[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[4-(4-butylphenyl)-5-methyl-thiazol-2-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[4-(4-butylphenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[4-(4-butylphenyl)-5-methyl-thiazol-2-yl]carbamoyl]cyclohexanecarboxylate Formula: C22H27N2O3S- MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3CCCCC3C(=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])C

InChI

InChI=1S/C22H28N2O3S/c1-3-4-7-15-10-12-16(13-11-15)19-14(2)28-22(23-19)24-20(25)17-8-5-6-9-18(17)21(26)27/h10-13,17-18H,3-9H2,1-2H3,(H,26,27)(H,23,24,25)/p-1/t17-,18+/m1/s1