4-[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyimino-ethyl]sulfanyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyimino-ethyl]sulfanyl-2-oxidanyl-benzoic acid Openeye Name: 4-[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyimino-ethyl]sulfanyl-2-hydroxy-benzoic acid CAS Name: 4-[[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyiminoethyl]thio]-2-hydroxybenzoic acid IUPAC Name: 4-[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyiminoethyl]sulfanyl-2-hydroxybenzoic acid Traditional Name: 4-[[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroximino-ethyl]thio]-2-hydroxy-benzoic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C(=NO)CSC2=CC(=C(C=C2)C(=O)O)O)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)/C(=N\O)/CSC2=CC(=C(C=C2)C(=O)O)O)C(C)(C)C

InChI

InChI=1S/C23H30N2O4S/c1-6-25(7-2)20-11-8-15(12-18(20)23(3,4)5)19(24-29)14-30-16-9-10-17(22(27)28)21(26)13-16/h8-13,26,29H,6-7,14H2,1-5H3,(H,27,28)/b24-19-