(2S,5S,6S)-5-(4-aminophenyl)sulfanyl-2-(4-bromophenyl)-6-methoxy-2-methyl-oxan-3-one

Systemtic Name: (2S,5S,6S)-5-(4-aminophenyl)sulfanyl-2-(4-bromophenyl)-6-methoxy-2-methyl-oxan-3-one Openeye Name: (2S,5S,6S)-5-(4-aminophenyl)sulfanyl-2-(4-bromophenyl)-6-methoxy-2-methyl-tetrahydropyran-3-one CAS Name: (2S,5S,6S)-5-[(4-aminophenyl)thio]-2-(4-bromophenyl)-6-methoxy-2-methyl-3-oxanone IUPAC Name: (2S,5S,6S)-5-(4-aminophenyl)sulfanyl-2-(4-bromophenyl)-6-methoxy-2-methyloxan-3-one Traditional Name: (2S,5S,6S)-5-[(4-aminophenyl)thio]-2-(4-bromophenyl)-6-methoxy-2-methyl-tetrahydropyran-3-one Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CC(C(O1)OC)SC2=CC=C(C=C2)N)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@]1(C(=O)C[C@@H]([C@H](O1)OC)SC2=CC=C(C=C2)N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrNO3S/c1-19(12-3-5-13(20)6-4-12)17(22)11-16(18(23-2)24-19)25-15-9-7-14(21)8-10-15/h3-10,16,18H,11,21H2,1-2H3/t16-,18-,19-/m0/s1