4-methoxy-2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-methoxy-2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-methoxy-2-(2-naphthylsulfanylmethyl)-4-oxo-butanoic acid CAS Name: 4-methoxy-2-[(2-naphthalenylthio)methyl]-4-oxobutanoic acid IUPAC Name: 4-methoxy-2-(naphthalen-2-ylsulfanylmethyl)-4-oxobutanoic acid Traditional Name: 4-keto-4-methoxy-2-[(2-naphthylthio)methyl]butyric acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSC1=CC2=CC=CC=C2C=C1)C(=O)O

Isomeric SMILES

COC(=O)CC(CSC1=CC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C16H16O4S/c1-20-15(17)9-13(16(18)19)10-21-14-7-6-11-4-2-3-5-12(11)8-14/h2-8,13H,9-10H2,1H3,(H,18,19)