[(2S,3S)-6-bromanyl-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] N,N-diethylcarbamodithioate

Systemtic Name: [(2S,3S)-6-bromanyl-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] N,N-diethylcarbamodithioate Openeye Name: [(2S,3S)-6-bromo-4-oxo-2-phenyl-chroman-3-yl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [(2S,3S)-6-bromo-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-6-bromo-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [(2S,3S)-6-bromo-4-keto-2-phenyl-chroman-3-yl] ester Formula: C20H20BrNO2S2 MolecularWeight: 450.4123

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1C(OC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=S)S[C@H]1[C@@H](OC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO2S2/c1-3-22(4-2)20(25)26-19-17(23)15-12-14(21)10-11-16(15)24-18(19)13-8-6-5-7-9-13/h5-12,18-19H,3-4H2,1-2H3/t18-,19+/m0/s1