2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 2-(1-methyl-4-nitrososulfanyl-4-piperidyl)ethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]ethyl ester IUPAC Name: 2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 2-[1-methyl-4-(nitrosothio)-4-piperidyl]ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCC3(CCN(CC3)C)SN=O

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCC3(CCN(CC3)C)SN=O

InChI

InChI=1S/C22H28N2O4S/c1-16(17-4-5-19-15-20(27-3)7-6-18(19)14-17)21(25)28-13-10-22(29-23-26)8-11-24(2)12-9-22/h4-7,14-16H,8-13H2,1-3H3/t16-/m0/s1