4-[[2-(4-cyclohexylsulfanylphenyl)-1-ethoxy-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 4-[[2-(4-cyclohexylsulfanylphenyl)-1-ethoxy-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[[2-(4-cyclohexylsulfanylphenyl)-1-ethoxy-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[2-[4-(cyclohexylthio)phenyl]-1-ethoxy-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-cyclohexylsulfanylphenyl)-1-ethoxy-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[[2-[4-(cyclohexylthio)phenyl]-1-ethoxy-2-keto-ethyl]amino]benzoic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)C1=CC=C(C=C1)SC2CCCCC2)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(C(=O)C1=CC=C(C=C1)SC2CCCCC2)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27NO4S/c1-2-28-22(24-18-12-8-17(9-13-18)23(26)27)21(25)16-10-14-20(15-11-16)29-19-6-4-3-5-7-19/h8-15,19,22,24H,2-7H2,1H3,(H,26,27)