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

Systemtic Name: ethyl [3-(3-methylbutyl)-6-(sulfanylmethyl)azulen-1-yl] carbonate Openeye Name: ethyl [3-isopentyl-6-(sulfanylmethyl)azulen-1-yl] carbonate CAS Name: carbonic acid ethyl [6-(mercaptomethyl)-3-(3-methylbutyl)-1-azulenyl] ester IUPAC Name: ethyl [3-(3-methylbutyl)-6-(sulfanylmethyl)azulen-1-yl] carbonate Traditional Name: carbonic acid ethyl [3-isoamyl-6-(mercaptomethyl)azulen-1-yl] ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC(=C2C1=CC=C(C=C2)CS)CCC(C)C

Isomeric SMILES

CCOC(=O)OC1=CC(=C2C1=CC=C(C=C2)CS)CCC(C)C

InChI

InChI=1S/C19H24O3S/c1-4-21-19(20)22-18-11-15(8-5-13(2)3)16-9-6-14(12-23)7-10-17(16)18/h6-7,9-11,13,23H,4-5,8,12H2,1-3H3