(1S,2R)-2-[(2-phenylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(2-phenylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(2-phenylsulfanylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[2-(phenylthio)anilino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(2-phenylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[2-(phenylthio)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C20H20NO3S- MolecularWeight: 354.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H21NO3S/c22-19(15-10-4-5-11-16(15)20(23)24)21-17-12-6-7-13-18(17)25-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16H,4-5,10-11H2,(H,21,22)(H,23,24)/p-1/t15-,16+/m1/s1