ethyl [3-(3-methylbutyl)-5-sulfanyl-azulen-1-yl] carbonate

Systemtic Name: ethyl [3-(3-methylbutyl)-5-sulfanyl-azulen-1-yl] carbonate Openeye Name: ethyl (3-isopentyl-5-sulfanyl-azulen-1-yl) carbonate CAS Name: carbonic acid ethyl [5-mercapto-3-(3-methylbutyl)-1-azulenyl] ester IUPAC Name: ethyl [3-(3-methylbutyl)-5-sulfanylazulen-1-yl] carbonate Traditional Name: carbonic acid ethyl (3-isoamyl-5-mercapto-azulen-1-yl) ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C2C=CC=C(C=C2C(=C1)CCC(C)C)S

Isomeric SMILES

CCOC(=O)OC1=C2C=CC=C(C=C2C(=C1)CCC(C)C)S

InChI

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