2-[11-(1-azacyclotridecen-2-ylamino)undecyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[11-(1-azacyclotridecen-2-ylamino)undecyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[11-(1-azacyclotridecen-2-ylamino)undecyl]-5,5-dimethyl-4H-thiazole-4-carboxylic acid CAS Name: 2-[11-(1-azacyclotridecen-2-ylamino)undecyl]-5,5-dimethyl-4H-thiazole-4-carboxylic acid IUPAC Name: 2-[11-(1-azacyclotridecen-2-ylamino)undecyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[11-(1-azacyclotridecen-2-ylamino)undecyl]-5,5-dimethyl-2-thiazoline-4-carboxylic acid Formula: C29H53N3O2S MolecularWeight: 507.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N=C(S1)CCCCCCCCCCCNC2=NCCCCCCCCCCC2)C(=O)O)C

Isomeric SMILES

CC1(C(N=C(S1)CCCCCCCCCCCNC2=NCCCCCCCCCCC2)C(=O)O)C

InChI

InChI=1S/C29H53N3O2S/c1-29(2)27(28(33)34)32-26(35-29)22-18-14-10-6-4-8-12-16-20-24-31-25-21-17-13-9-5-3-7-11-15-19-23-30-25/h27H,3-24H2,1-2H3,(H,30,31)(H,33,34)