butyl 4,6-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-7-carboxylate

Systemtic Name: butyl 4,6-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-7-carboxylate Openeye Name: butyl 4,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carboxylate CAS Name: 4,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid butyl ester IUPAC Name: butyl 4,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carboxylate Traditional Name: 1,1-diketo-4,6-dimethyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid butyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1C)C(CCS2(=O)=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1C)C(CCS2(=O)=O)C

InChI

InChI=1S/C16H22O4S/c1-4-5-7-20-16(17)14-10-15-13(9-12(14)3)11(2)6-8-21(15,18)19/h9-11H,4-8H2,1-3H3