3-[(1R,2S)-2-cyclohexyl-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl]benzoic acid

Systemtic Name: 3-[(1R,2S)-2-cyclohexyl-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl]benzoic acid Openeye Name: 3-[(1R,2S)-2-cyclohexyl-1-(thiazol-2-ylcarbamoyl)cyclopropyl]benzoic acid CAS Name: 3-[(1R,2S)-2-cyclohexyl-1-[oxo-(2-thiazolylamino)methyl]cyclopropyl]benzoic acid IUPAC Name: 3-[(1R,2S)-2-cyclohexyl-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl]benzoic acid Traditional Name: 3-[(1R,2S)-2-cyclohexyl-1-(thiazol-2-ylcarbamoyl)cyclopropyl]benzoic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC2(C3=CC=CC(=C3)C(=O)O)C(=O)NC4=NC=CS4

Isomeric SMILES

C1CCC(CC1)[C@@H]2C[C@@]2(C3=CC=CC(=C3)C(=O)O)C(=O)NC4=NC=CS4

InChI

InChI=1S/C20H22N2O3S/c23-17(24)14-7-4-8-15(11-14)20(18(25)22-19-21-9-10-26-19)12-16(20)13-5-2-1-3-6-13/h4,7-11,13,16H,1-3,5-6,12H2,(H,23,24)(H,21,22,25)/t16-,20-/m0/s1