3-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoate

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoate Openeye Name: 3-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-6-benzyloxy-6-oxo-hexanoyl]oxyhexadecanoate CAS Name: 3-[2-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-1,6-dioxo-6-phenylmethoxyhexoxy]hexadecanoate IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxo-6-phenylmethoxyhexanoyl]oxyhexadecanoate Traditional Name: 3-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-6-benzoxy-6-keto-hexanoyl]oxypalmitate Formula: C37H50N3O7S- MolecularWeight: 680.8738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)[O-])OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)[O-])OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C37H51N3O7S/c1-2-3-4-5-6-7-8-9-10-11-15-21-29(26-33(41)42)47-35(44)31(23-18-25-34(43)46-27-28-19-13-12-14-20-28)38-36(45)40-37-39-30-22-16-17-24-32(30)48-37/h12-14,16-17,19-20,22,24,29,31H,2-11,15,18,21,23,25-27H2,1H3,(H,41,42)(H2,38,39,40,45)/p-1