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

Systemtic Name: ethyl [3-(2-methylpropyl)-6-(sulfanylmethyl)azulen-1-yl] carbonate Openeye Name: ethyl [3-isobutyl-6-(sulfanylmethyl)azulen-1-yl] carbonate CAS Name: carbonic acid ethyl [6-(mercaptomethyl)-3-(2-methylpropyl)-1-azulenyl] ester IUPAC Name: ethyl [3-(2-methylpropyl)-6-(sulfanylmethyl)azulen-1-yl] carbonate Traditional Name: carbonic acid ethyl [3-isobutyl-6-(mercaptomethyl)azulen-1-yl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3S/c1-4-20-18(19)21-17-10-14(9-12(2)3)15-7-5-13(11-22)6-8-16(15)17/h5-8,10,12,22H,4,9,11H2,1-3H3