(2S)-2-(2-tert-butyl-5-nitrososulfanyl-1,3-dioxan-5-yl)-2-(6-methoxynaphthalen-2-yl)pentanoic acid

Systemtic Name: (2S)-2-(2-tert-butyl-5-nitrososulfanyl-1,3-dioxan-5-yl)-2-(6-methoxynaphthalen-2-yl)pentanoic acid Openeye Name: (2S)-2-(2-tert-butyl-5-nitrososulfanyl-1,3-dioxan-5-yl)-2-(6-methoxy-2-naphthyl)pentanoic acid CAS Name: (2S)-2-[2-tert-butyl-5-(nitrosothio)-1,3-dioxan-5-yl]-2-(6-methoxy-2-naphthalenyl)pentanoic acid IUPAC Name: (2S)-2-(2-tert-butyl-5-nitrososulfanyl-1,3-dioxan-5-yl)-2-(6-methoxynaphthalen-2-yl)pentanoic acid Traditional Name: (2S)-2-[2-tert-butyl-5-(nitrosothio)-1,3-dioxan-5-yl]-2-(6-methoxy-2-naphthyl)valeric acid Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)C3(COC(OC3)C(C)(C)C)SN=O

Isomeric SMILES

CCC[C@](C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)C3(COC(OC3)C(C)(C)C)SN=O

InChI

InChI=1S/C24H31NO6S/c1-6-11-24(20(26)27,18-9-7-17-13-19(29-5)10-8-16(17)12-18)23(32-25-28)14-30-21(31-15-23)22(2,3)4/h7-10,12-13,21H,6,11,14-15H2,1-5H3,(H,26,27)/t21?,23?,24-/m0/s1