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

Systemtic Name: [2-acetamido-3-butyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Openeye Name: [2-acetamido-3-butyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [2-acetamido-3-butyl-6-(mercaptomethyl)-1-azulenyl] ethyl ester IUPAC Name: [2-acetamido-3-butyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [2-acetamido-3-butyl-6-(mercaptomethyl)azulen-1-yl] ethyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CS

Isomeric SMILES

CCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CS

InChI

InChI=1S/C20H25NO4S/c1-4-6-7-16-15-10-8-14(12-26)9-11-17(15)19(18(16)21-13(3)22)25-20(23)24-5-2/h8-11,26H,4-7,12H2,1-3H3,(H,21,22)