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

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-(3,4-dichlorophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 3-(3,4-dichlorobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(3,4-dichlorophenyl)-oxomethyl]thio]-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-(3,4-dichlorobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(3,4-dichlorobenzoyl)thio]-2-methyl-propionic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C23H20BrCl2NO4S MolecularWeight: 557.2842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)Br

Isomeric SMILES

CC(CSC(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)Br

InChI

InChI=1S/C23H20BrCl2NO4S/c1-12(11-32-22(29)14-5-6-16(25)17(26)9-14)21(28)30-19-15-8-13(10-27)4-7-18(15)31-23(2,3)20(19)24/h4-9,12,19-20H,11H2,1-3H3