ethyl [3-propoxy-6-(sulfanylmethyl)azulen-1-yl] carbonate

Systemtic Name: ethyl [3-propoxy-6-(sulfanylmethyl)azulen-1-yl] carbonate Openeye Name: ethyl [3-propoxy-6-(sulfanylmethyl)azulen-1-yl] carbonate CAS Name: carbonic acid ethyl [6-(mercaptomethyl)-3-propoxy-1-azulenyl] ester IUPAC Name: ethyl [3-propoxy-6-(sulfanylmethyl)azulen-1-yl] carbonate Traditional Name: carbonic acid ethyl [6-(mercaptomethyl)-3-propoxy-azulen-1-yl] ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C2C1=CC=C(C=C2)CS)OC(=O)OCC

Isomeric SMILES

CCCOC1=CC(=C2C1=CC=C(C=C2)CS)OC(=O)OCC

InChI

InChI=1S/C17H20O4S/c1-3-9-20-15-10-16(21-17(18)19-4-2)14-8-6-12(11-22)5-7-13(14)15/h5-8,10,22H,3-4,9,11H2,1-2H3