methyl 3-(2-oxidanylidenecyclohexyl)sulfanyl-2-propanoyl-benzoate

Systemtic Name: methyl 3-(2-oxidanylidenecyclohexyl)sulfanyl-2-propanoyl-benzoate Openeye Name: methyl 3-(2-oxocyclohexyl)sulfanyl-2-propanoyl-benzoate CAS Name: 3-[(2-oxocyclohexyl)thio]-2-(1-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2-oxocyclohexyl)sulfanyl-2-propanoylbenzoate Traditional Name: 3-[(2-ketocyclohexyl)thio]-2-propionyl-benzoic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC=C1SC2CCCCC2=O)C(=O)OC

Isomeric SMILES

CCC(=O)C1=C(C=CC=C1SC2CCCCC2=O)C(=O)OC

InChI

InChI=1S/C17H20O4S/c1-3-12(18)16-11(17(20)21-2)7-6-10-15(16)22-14-9-5-4-8-13(14)19/h6-7,10,14H,3-5,8-9H2,1-2H3