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

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-(4-bromophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 3-(4-bromobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(4-bromophenyl)-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-(4-bromobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(4-bromobenzoyl)thio]-2-methyl-propionic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C23H21Br2NO4S MolecularWeight: 567.29014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21Br2NO4S/c1-13(12-31-22(28)15-5-7-16(24)8-6-15)21(27)29-19-17-10-14(11-26)4-9-18(17)30-23(2,3)20(19)25/h4-10,13,19-20H,12H2,1-3H3