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

Systemtic Name: 4-[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyimino-ethyl]sulfanylbenzoic acid Openeye Name: 4-[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyimino-ethyl]sulfanylbenzoic acid CAS Name: 4-[[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyiminoethyl]thio]benzoic acid IUPAC Name: 4-[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroxyiminoethyl]sulfanylbenzoic acid Traditional Name: 4-[[(2E)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-hydroximino-ethyl]thio]benzoic acid Formula: C23H30N2O3S MolecularWeight: 414.5609

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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)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)C(C)(C)C

InChI

InChI=1S/C23H30N2O3S/c1-6-25(7-2)21-13-10-17(14-19(21)23(3,4)5)20(24-28)15-29-18-11-8-16(9-12-18)22(26)27/h8-14,28H,6-7,15H2,1-5H3,(H,26,27)/b24-20-