(E)-4-oxidanylidene-4-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylamino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[2-(1-tritylsulfanylimidazol-4-yl)ethylamino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[2-[1-[(triphenylmethyl)thio]-4-imidazolyl]ethylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[2-(1-tritylsulfanylimidazol-4-yl)ethylamino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[2-[1-(tritylthio)imidazol-4-yl]ethylamino]but-2-enoic acid Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C28H25N3O3S/c32-26(16-17-27(33)34)29-19-18-25-20-31(21-30-25)35-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,20-21H,18-19H2,(H,29,32)(H,33,34)/b17-16+