4-[[1-ethoxy-2-[4-(3-methylbutylsulfanyl)phenyl]-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 4-[[1-ethoxy-2-[4-(3-methylbutylsulfanyl)phenyl]-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[[1-ethoxy-2-(4-isopentylsulfanylphenyl)-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[1-ethoxy-2-[4-(3-methylbutylthio)phenyl]-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[1-ethoxy-2-[4-(3-methylbutylsulfanyl)phenyl]-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[[1-ethoxy-2-[4-(isoamylthio)phenyl]-2-keto-ethyl]amino]benzoic acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)C1=CC=C(C=C1)SCCC(C)C)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(C(=O)C1=CC=C(C=C1)SCCC(C)C)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H27NO4S/c1-4-27-21(23-18-9-5-17(6-10-18)22(25)26)20(24)16-7-11-19(12-8-16)28-14-13-15(2)3/h5-12,15,21,23H,4,13-14H2,1-3H3,(H,25,26)