3-[(7S)-7-(5-bromanyl-2-oxidanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(7S)-7-(5-bromanyl-2-oxidanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(7S)-7-(5-bromo-2-hydroxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7S)-7-(5-bromo-2-hydroxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7S)-7-(5-bromo-2-hydroxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7S)-7-(5-bromo-2-hydroxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=C(C=CC(=C3)Br)O)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=C(C=CC(=C3)Br)O)C(=O)O1

InChI

InChI=1S/C17H16BrNO4S/c1-9-6-14(21)16(17(22)23-9)12-8-15(24-5-4-19-12)11-7-10(18)2-3-13(11)20/h2-3,6-7,15,19-20H,4-5,8H2,1H3/t15-/m0/s1