3-(4-methyl-4-nitrososulfanyl-piperidin-1-yl)propyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 3-(4-methyl-4-nitrososulfanyl-piperidin-1-yl)propyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 3-(4-methyl-4-nitrososulfanyl-1-piperidyl)propyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 3-[4-methyl-4-(nitrosothio)-1-piperidinyl]propyl ester IUPAC Name: 3-(4-methyl-4-nitrososulfanylpiperidin-1-yl)propyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 3-[4-methyl-4-(nitrosothio)piperidino]propyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCN3CCC(CC3)(C)SN=O

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCN3CCC(CC3)(C)SN=O

InChI

InChI=1S/C23H30N2O4S/c1-17(18-5-6-20-16-21(28-3)8-7-19(20)15-18)22(26)29-14-4-11-25-12-9-23(2,10-13-25)30-24-27/h5-8,15-17H,4,9-14H2,1-3H3/t17-/m0/s1