[3-acetyloxy-2,2-dimethyl-4-[[3-[[4-[(E)-octadec-9-enoyl]sulfanylphenyl]amino]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butyl] ethanoate

Systemtic Name: [3-acetyloxy-2,2-dimethyl-4-[[3-[[4-[(E)-octadec-9-enoyl]sulfanylphenyl]amino]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butyl] ethanoate Openeye Name: [3-acetoxy-2,2-dimethyl-4-[[3-[4-[(E)-octadec-9-enoyl]sulfanylanilino]-3-oxo-propyl]amino]-4-oxo-butyl] acetate CAS Name: acetic acid [3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[4-[[(E)-1-oxooctadec-9-enyl]thio]anilino]propyl]amino]butyl] ester IUPAC Name: [3-acetyloxy-2,2-dimethyl-4-[[3-[4-[(E)-octadec-9-enoyl]sulfanylanilino]-3-oxopropyl]amino]-4-oxobutyl] acetate Traditional Name: acetic acid [3-acetoxy-4-keto-4-[[3-keto-3-[4-[[(E)-octadec-9-enoyl]thio]anilino]propyl]amino]-2,2-dimethyl-butyl] ester Formula: C37H58N2O7S MolecularWeight: 674.93062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SC1=CC=C(C=C1)NC(=O)CCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SC1=CC=C(C=C1)NC(=O)CCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C

InChI

InChI=1S/C37H58N2O7S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(43)47-32-24-22-31(23-25-32)39-33(42)26-27-38-36(44)35(46-30(3)41)37(4,5)28-45-29(2)40/h13-14,22-25,35H,6-12,15-21,26-28H2,1-5H3,(H,38,44)(H,39,42)/b14-13+