[1-(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] pyrrolidine-1-carbodithioate

Systemtic Name: [1-(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] pyrrolidine-1-carbodithioate Openeye Name: [2-(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)-1-methyl-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [1-(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO4S2 MolecularWeight: 456.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C(=O)C(C)SC(=S)N3CCCC3)O)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C(=O)C(C)SC(=S)N3CCCC3)O)Br

InChI

InChI=1S/C18H18BrNO4S2/c1-9-11-5-6-12(21)13(16(11)24-17(23)14(9)19)15(22)10(2)26-18(25)20-7-3-4-8-20/h5-6,10,21H,3-4,7-8H2,1-2H3