(3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-ethanoylsulfanyl-2-methyl-propanoate

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-ethanoylsulfanyl-2-methyl-propanoate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 3-acetylsulfanyl-2-methyl-propanoate CAS Name: 3-(acetylthio)-2-methylpropanoic acid (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-acetylsulfanyl-2-methylpropanoate Traditional Name: 3-(acetylthio)-2-methyl-propionic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)Br

Isomeric SMILES

CC(CSC(=O)C)C(=O)OC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)Br

InChI

InChI=1S/C18H20BrNO4S/c1-10(9-25-11(2)21)17(22)23-15-13-7-12(8-20)5-6-14(13)24-18(3,4)16(15)19/h5-7,10,15-16H,9H2,1-4H3