6-[2-(1-adamantylsulfanyl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-adamantylsulfanyl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-adamantylsulfanyl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(1-adamantylthio)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-adamantylsulfanyl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(1-adamantylthio)acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C20H23NO3S/c22-17(15-1-2-18-16(6-15)21-19(23)10-24-18)11-25-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14H,3-5,7-11H2,(H,21,23)