[2-(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)-2-keto-ethyl] ester Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=C(C=CC2=C1OC(=O)C(=C2C)Br)O

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=C(C=CC2=C1OC(=O)C(=C2C)Br)O

InChI

InChI=1S/C17H18BrNO4S2/c1-4-19(5-2)17(24)25-8-12(21)13-11(20)7-6-10-9(3)14(18)16(22)23-15(10)13/h6-7,20H,4-5,8H2,1-3H3