methyl (1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylate

Systemtic Name: methyl (1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylate Openeye Name: methyl (1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylate CAS Name: (1R,3aS,6aS)-4-methyl-5-(methylthio)-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylate Traditional Name: (1R,3aS,6aS)-4-methyl-5-(methylthio)-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C1C=CC2C(=O)OC)SC

Isomeric SMILES

CC1=C(C[C@H]2[C@@H]1C=C[C@H]2C(=O)OC)SC

InChI

InChI=1S/C12H16O2S/c1-7-8-4-5-9(12(13)14-2)10(8)6-11(7)15-3/h4-5,8-10H,6H2,1-3H3/t8-,9-,10+/m1/s1