ethyl 2-(3-oxidanylidenecyclohexen-1-yl)-3,3-diphenyl-thiirane-2-carboxylate

Systemtic Name: ethyl 2-(3-oxidanylidenecyclohexen-1-yl)-3,3-diphenyl-thiirane-2-carboxylate Openeye Name: ethyl 2-(3-oxocyclohexen-1-yl)-3,3-diphenyl-thiirane-2-carboxylate CAS Name: 2-(3-oxo-1-cyclohexenyl)-3,3-diphenyl-2-thiiranecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-oxocyclohexen-1-yl)-3,3-diphenylthiirane-2-carboxylate Traditional Name: 2-(3-ketocyclohexen-1-yl)-3,3-diphenyl-thiirane-2-carboxylic acid ethyl ester Formula: C23H22O3S MolecularWeight: 378.48398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(S1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=O)CCC4

Isomeric SMILES

CCOC(=O)C1(C(S1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=O)CCC4

InChI

InChI=1S/C23H22O3S/c1-2-26-21(25)23(19-14-9-15-20(24)16-19)22(27-23,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,2,9,14-15H2,1H3