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

Systemtic Name: (1R,2R)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(5-methyl-4-phenyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[(5-methyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(5-methyl-4-phenyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C18H19N2O3S- MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2CCCCC2C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,22,23)(H,19,20,21)/p-1/t13-,14-/m1/s1