(E,5S)-5-[(4-methylsulfanylphenyl)carbamoyloxy]-5-(4-oxidanylnaphthalen-1-yl)pent-2-enoic acid

Systemtic Name: (E,5S)-5-[(4-methylsulfanylphenyl)carbamoyloxy]-5-(4-oxidanylnaphthalen-1-yl)pent-2-enoic acid Openeye Name: (E,5S)-5-(4-hydroxy-1-naphthyl)-5-[(4-methylsulfanylphenyl)carbamoyloxy]pent-2-enoic acid CAS Name: (E,5S)-5-(4-hydroxy-1-naphthalenyl)-5-[[4-(methylthio)anilino]-oxomethoxy]-2-pentenoic acid IUPAC Name: (E,5S)-5-(4-hydroxynaphthalen-1-yl)-5-[(4-methylsulfanylphenyl)carbamoyloxy]pent-2-enoic acid Traditional Name: (E,5S)-5-(4-hydroxy-1-naphthyl)-5-[[4-(methylthio)phenyl]carbamoyloxy]pent-2-enoic acid Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)OC(CC=CC(=O)O)C2=CC=C(C3=CC=CC=C32)O

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)O[C@@H](C/C=C/C(=O)O)C2=CC=C(C3=CC=CC=C32)O

InChI

InChI=1S/C23H21NO5S/c1-30-16-11-9-15(10-12-16)24-23(28)29-21(7-4-8-22(26)27)19-13-14-20(25)18-6-3-2-5-17(18)19/h2-6,8-14,21,25H,7H2,1H3,(H,24,28)(H,26,27)/b8-4+/t21-/m0/s1