cyclohexyl 4-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: cyclohexyl 4-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: cyclohexyl 4-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(phenylthio)acetyl]amino]benzoic acid cyclohexyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3S/c23-20(15-26-19-9-5-2-6-10-19)22-17-13-11-16(12-14-17)21(24)25-18-7-3-1-4-8-18/h2,5-6,9-14,18H,1,3-4,7-8,15H2,(H,22,23)