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

Systemtic Name: [2-acetamido-3-hexyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Openeye Name: [2-acetamido-3-hexyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [2-acetamido-3-hexyl-6-(mercaptomethyl)-1-azulenyl] ethyl ester IUPAC Name: [2-acetamido-3-hexyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [2-acetamido-3-hexyl-6-(mercaptomethyl)azulen-1-yl] ethyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CS

Isomeric SMILES

CCCCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CS

InChI

InChI=1S/C22H29NO4S/c1-4-6-7-8-9-18-17-12-10-16(14-28)11-13-19(17)21(20(18)23-15(3)24)27-22(25)26-5-2/h10-13,28H,4-9,14H2,1-3H3,(H,23,24)