(4S)-2-(6-hexadecanoyloxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Systemtic Name: (4S)-2-(6-hexadecanoyloxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid Openeye Name: (4S)-2-(6-hexadecanoyloxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid CAS Name: (4S)-2-[6-(1-oxohexadecoxy)-1,3-benzothiazol-2-yl]-4,5-dihydrothiazole-4-carboxylic acid IUPAC Name: (4S)-2-(6-hexadecanoyloxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid Traditional Name: (4S)-2-(6-hexadecanoyloxy-1,3-benzothiazol-2-yl)-2-thiazoline-4-carboxylic acid Formula: C27H38N2O4S2 MolecularWeight: 518.73162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)N=C(S2)C3=NC(CS3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)N=C(S2)C3=N[C@H](CS3)C(=O)O

InChI

InChI=1S/C27H38N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)33-20-16-17-21-23(18-20)35-26(28-21)25-29-22(19-34-25)27(31)32/h16-18,22H,2-15,19H2,1H3,(H,31,32)/t22-/m1/s1