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

Systemtic Name: 6-methyl-3-[(7R)-7-(3-nitro-4-oxidanyl-phenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 3-[(7R)-7-(4-hydroxy-3-nitro-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7R)-7-(4-hydroxy-3-nitrophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7R)-7-(4-hydroxy-3-nitrophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7R)-7-(4-hydroxy-3-nitro-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@@H](SCCN2)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C17H16N2O6S/c1-9-6-14(21)16(17(22)25-9)11-8-15(26-5-4-18-11)10-2-3-13(20)12(7-10)19(23)24/h2-3,6-7,15,18,20H,4-5,8H2,1H3/t15-/m1/s1