[4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]phenyl] 2-(6-methoxy-2-naphthyl)propanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)propanoic acid [4-[[methyl-[2-methyl-2-(nitrosothio)propyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[methyl-(2-methyl-2-nitrososulfanylpropyl)amino]methyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: 2-(6-methoxy-2-naphthyl)propionic acid [4-[[methyl-[2-methyl-2-(nitrosothio)propyl]amino]methyl]phenyl] ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)CN(C)CC(C)(C)SN=O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)CN(C)CC(C)(C)SN=O

InChI

InChI=1S/C26H30N2O4S/c1-18(20-8-9-22-15-24(31-5)13-10-21(22)14-20)25(29)32-23-11-6-19(7-12-23)16-28(4)17-26(2,3)33-27-30/h6-15,18H,16-17H2,1-5H3