2-[2-(4-oxidanylnaphthalen-1-yl)oxyethylsulfanyl]ethanoic acid; N-phenylmethanamide

Systemtic Name: 2-[2-(4-oxidanylnaphthalen-1-yl)oxyethylsulfanyl]ethanoic acid; N-phenylmethanamide Openeye Name: 2-[2-[(4-hydroxy-1-naphthyl)oxy]ethylsulfanyl]acetic acid; N-phenylformamide CAS Name: 2-[2-[(4-hydroxy-1-naphthalenyl)oxy]ethylthio]acetic acid; N-phenylformamide IUPAC Name: 2-[2-(4-hydroxynaphthalen-1-yl)oxyethylsulfanyl]acetic acid; N-phenylformamide Traditional Name: 2-[2-(4-hydroxy-1-naphthoxy)ethylthio]acetic acid; N-phenylformamide Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=O.C1=CC=C2C(=C1)C(=CC=C2OCCSCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC=O.C1=CC=C2C(=C1)C(=CC=C2OCCSCC(=O)O)O

InChI

InChI=1S/C14H14O4S.C7H7NO/c15-12-5-6-13(11-4-2-1-3-10(11)12)18-7-8-19-9-14(16)17;9-6-8-7-4-2-1-3-5-7/h1-6,15H,7-9H2,(H,16,17);1-6H,(H,8,9)