[2-acetamido-3-pentyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate

Systemtic Name: [2-acetamido-3-pentyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Openeye Name: [2-acetamido-3-pentyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [2-acetamido-6-(mercaptomethyl)-3-pentyl-1-azulenyl] ethyl ester IUPAC Name: [2-acetamido-3-pentyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [2-acetamido-3-amyl-6-(mercaptomethyl)azulen-1-yl] ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CS

Isomeric SMILES

CCCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CS

InChI

InChI=1S/C21H27NO4S/c1-4-6-7-8-17-16-11-9-15(13-27)10-12-18(16)20(19(17)22-14(3)23)26-21(24)25-5-2/h9-12,27H,4-8,13H2,1-3H3,(H,22,23)