S-(4-nitrooxybutyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanethioate

Systemtic Name: S-(4-nitrooxybutyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanethioate Openeye Name: S-(4-nitrooxybutyl) (2S)-2-(6-methoxy-2-naphthyl)propanethioate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanethioic acid S-(4-nitrooxybutyl) ester IUPAC Name: S-(4-nitrooxybutyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanethioate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propanethioic acid S-(4-nitrooxybutyl) ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SCCCCO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SCCCCO[N+](=O)[O-]

InChI

InChI=1S/C18H21NO5S/c1-13(18(20)25-10-4-3-9-24-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1