2-methylfuran-3-thiol; (4-methyl-1-propan-2-yl-cyclohex-3-en-1-yl) propanoate

Systemtic Name: 2-methylfuran-3-thiol; (4-methyl-1-propan-2-yl-cyclohex-3-en-1-yl) propanoate Openeye Name: (1-isopropyl-4-methyl-cyclohex-3-en-1-yl) propanoate; 2-methylfuran-3-thiol CAS Name: 2-methyl-3-furanthiol; propanoic acid (4-methyl-1-propan-2-yl-1-cyclohex-3-enyl) ester IUPAC Name: 2-methylfuran-3-thiol; (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) propanoate Traditional Name: 2-methylfuran-3-thiol; propionic acid (1-isopropyl-4-methyl-cyclohex-3-en-1-yl) ester Formula: C18H28O3S MolecularWeight: 324.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCC(=CC1)C)C(C)C.CC1=C(C=CO1)S

Isomeric SMILES

CCC(=O)OC1(CCC(=CC1)C)C(C)C.CC1=C(C=CO1)S

InChI

InChI=1S/C13H22O2.C5H6OS/c1-5-12(14)15-13(10(2)3)8-6-11(4)7-9-13;1-4-5(7)2-3-6-4/h6,10H,5,7-9H2,1-4H3;2-3,7H,1H3