(E,7S)-7-[(4-methylsulfanylphenyl)carbamoyloxy]-7-(4-oxidanylnaphthalen-1-yl)hept-2-enoic acid

Systemtic Name: (E,7S)-7-[(4-methylsulfanylphenyl)carbamoyloxy]-7-(4-oxidanylnaphthalen-1-yl)hept-2-enoic acid Openeye Name: (E,7S)-7-(4-hydroxy-1-naphthyl)-7-[(4-methylsulfanylphenyl)carbamoyloxy]hept-2-enoic acid CAS Name: (E,7S)-7-(4-hydroxy-1-naphthalenyl)-7-[[4-(methylthio)anilino]-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,7S)-7-(4-hydroxynaphthalen-1-yl)-7-[(4-methylsulfanylphenyl)carbamoyloxy]hept-2-enoic acid Traditional Name: (E,7S)-7-(4-hydroxy-1-naphthyl)-7-[[4-(methylthio)phenyl]carbamoyloxy]hept-2-enoic acid Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5S/c1-32-18-13-11-17(12-14-18)26-25(30)31-23(9-3-2-4-10-24(28)29)21-15-16-22(27)20-8-6-5-7-19(20)21/h4-8,10-16,23,27H,2-3,9H2,1H3,(H,26,30)(H,28,29)/b10-4+/t23-/m0/s1