2-(1,3-benzothiazol-2-yl)-2-[5-dodecyl-5-methyl-2,4-bis(oxidanylidene)-1,3-oxazolidin-3-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[5-dodecyl-5-methyl-2,4-bis(oxidanylidene)-1,3-oxazolidin-3-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(5-dodecyl-5-methyl-2,4-dioxo-oxazolidin-3-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(5-dodecyl-5-methyl-2,4-dioxo-3-oxazolidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(5-dodecyl-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2,4-diketo-5-lauryl-5-methyl-oxazolidin-3-yl)acetonitrile Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C(=O)N(C(=O)O1)C(C#N)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCCCCCCCCCCC1(C(=O)N(C(=O)O1)C(C#N)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C25H33N3O3S/c1-3-4-5-6-7-8-9-10-11-14-17-25(2)23(29)28(24(30)31-25)20(18-26)22-27-19-15-12-13-16-21(19)32-22/h12-13,15-16,20H,3-11,14,17H2,1-2H3