[2-acetamido-2-(acetyloxymethyl)-4-(4-heptylthiophen-2-yl)butyl] ethanoate

Systemtic Name: [2-acetamido-2-(acetyloxymethyl)-4-(4-heptylthiophen-2-yl)butyl] ethanoate Openeye Name: [2-acetamido-2-(acetoxymethyl)-4-(4-heptyl-2-thienyl)butyl] acetate CAS Name: acetic acid [2-acetamido-2-(acetyloxymethyl)-4-(4-heptyl-2-thiophenyl)butyl] ester IUPAC Name: [2-acetamido-2-(acetyloxymethyl)-4-(4-heptylthiophen-2-yl)butyl] acetate Traditional Name: acetic acid [2-acetamido-2-(acetoxymethyl)-4-(4-heptyl-2-thienyl)butyl] ester Formula: C22H35NO5S MolecularWeight: 425.582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CSC(=C1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCC1=CSC(=C1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C

InChI

InChI=1S/C22H35NO5S/c1-5-6-7-8-9-10-20-13-21(29-14-20)11-12-22(23-17(2)24,15-27-18(3)25)16-28-19(4)26/h13-14H,5-12,15-16H2,1-4H3,(H,23,24)