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

Systemtic Name: (1S,2R)-2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[4-(2-naphthyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[4-(2-naphthalenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[4-(2-naphthyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate Formula: C21H19N2O3S- MolecularWeight: 379.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)[O-]

InChI

InChI=1S/C21H20N2O3S/c24-19(16-7-3-4-8-17(16)20(25)26)23-21-22-18(12-27-21)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,9-12,16-17H,3-4,7-8H2,(H,25,26)(H,22,23,24)/p-1/t16-,17+/m1/s1