methyl 2-[2-cyclopropylcarbonyl-3,3-bis(methylsulfanyl)prop-2-enoyl]-5-(trifluoromethyl)benzenesulfinate

Systemtic Name: methyl 2-[2-cyclopropylcarbonyl-3,3-bis(methylsulfanyl)prop-2-enoyl]-5-(trifluoromethyl)benzenesulfinate Openeye Name: methyl 2-[2-(cyclopropanecarbonyl)-3,3-bis(methylsulfanyl)prop-2-enoyl]-5-(trifluoromethyl)benzenesulfinate CAS Name: 2-[2-[cyclopropyl(oxo)methyl]-3,3-bis(methylthio)-1-oxoprop-2-enyl]-5-(trifluoromethyl)benzenesulfinic acid methyl ester IUPAC Name: methyl 2-[2-(cyclopropanecarbonyl)-3,3-bis(methylsulfanyl)prop-2-enoyl]-5-(trifluoromethyl)benzenesulfinate Traditional Name: 2-[2-(cyclopropanecarbonyl)-3,3-bis(methylthio)acryloyl]-5-(trifluoromethyl)benzenesulfinic acid methyl ester Formula: C17H17F3O4S3 MolecularWeight: 438.50469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C(=C(SC)SC)C(=O)C2CC2

Isomeric SMILES

COS(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C(=C(SC)SC)C(=O)C2CC2

InChI

InChI=1S/C17H17F3O4S3/c1-24-27(23)12-8-10(17(18,19)20)6-7-11(12)15(22)13(16(25-2)26-3)14(21)9-4-5-9/h6-9H,4-5H2,1-3H3