2-[methyl-[(1-nitrososulfanylcyclohexyl)methyl]amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 2-[methyl-[(1-nitrososulfanylcyclohexyl)methyl]amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 2-[methyl-[(1-nitrososulfanylcyclohexyl)methyl]amino]ethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 2-[methyl-[[1-(nitrosothio)cyclohexyl]methyl]amino]ethyl ester IUPAC Name: 2-[methyl-[(1-nitrososulfanylcyclohexyl)methyl]amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 2-[methyl-[[1-(nitrosothio)cyclohexyl]methyl]amino]ethyl ester Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN(C)CC3(CCCCC3)SN=O

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN(C)CC3(CCCCC3)SN=O

InChI

InChI=1S/C24H32N2O4S/c1-18(19-7-8-21-16-22(29-3)10-9-20(21)15-19)23(27)30-14-13-26(2)17-24(31-25-28)11-5-4-6-12-24/h7-10,15-16,18H,4-6,11-14,17H2,1-3H3/t18-/m0/s1