1-methyl-3-(oxan-2-yloxy)-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 1-methyl-3-(oxan-2-yloxy)-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 1-methyl-5-oxo-2-(phenylsulfanylmethyl)-3-tetrahydropyran-2-yloxy-cyclopentanecarboxylic acid CAS Name: 1-methyl-3-(2-oxanyloxy)-5-oxo-2-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-methyl-3-(oxan-2-yloxy)-5-oxo-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 5-keto-1-methyl-2-[(phenylthio)methyl]-3-tetrahydropyran-2-yloxy-cyclopentanecarboxylic acid Formula: C19H24O5S MolecularWeight: 364.45586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CC1=O)OC2CCCCO2)CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1(C(C(CC1=O)OC2CCCCO2)CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H24O5S/c1-19(18(21)22)14(12-25-13-7-3-2-4-8-13)15(11-16(19)20)24-17-9-5-6-10-23-17/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3,(H,21,22)