6-methyl-3-[(7R)-7-(5-nitro-2-oxidanidyl-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxidanylidene-pyran-2-olate

Systemtic Name: 6-methyl-3-[(7R)-7-(5-nitro-2-oxidanidyl-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxidanylidene-pyran-2-olate Openeye Name: 6-methyl-3-[(7R)-7-(5-nitro-2-oxido-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxo-pyran-2-olate CAS Name: 6-methyl-3-[(7R)-7-(5-nitro-2-oxidophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxo-2-pyranolate IUPAC Name: 6-methyl-3-[(7R)-7-(5-nitro-2-oxidophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxopyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(7R)-7-(5-nitro-2-oxido-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Formula: C17H14N2O6S-2 MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C2=NCCSC(C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C2=NCCS[C@H](C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

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