(6-bromanyl-3-methanoyl-4-oxidanylidene-chromen-8-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (6-bromanyl-3-methanoyl-4-oxidanylidene-chromen-8-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (6-bromo-3-formyl-4-oxo-chromen-8-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (6-bromo-3-formyl-4-oxo-1-benzopyran-8-yl)methyl ester IUPAC Name: (6-bromo-3-formyl-4-oxochromen-8-yl)methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (6-bromo-3-formyl-4-keto-chromen-8-yl)methyl ester Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=C2C(=CC(=C1)Br)C(=O)C(=CO2)C=O

Isomeric SMILES

CCN(CC)C(=S)SCC1=C2C(=CC(=C1)Br)C(=O)C(=CO2)C=O

InChI

InChI=1S/C16H16BrNO3S2/c1-3-18(4-2)16(22)23-9-10-5-12(17)6-13-14(20)11(7-19)8-21-15(10)13/h5-8H,3-4,9H2,1-2H3