6-methyl-3-[(7S)-7-(3-nitrophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxidanylidene-pyran-2-olate

Systemtic Name: 6-methyl-3-[(7S)-7-(3-nitrophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxidanylidene-pyran-2-olate Openeye Name: 6-methyl-3-[(7S)-7-(3-nitrophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxo-pyran-2-olate CAS Name: 6-methyl-3-[(7S)-7-(3-nitrophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxo-2-pyranolate IUPAC Name: 6-methyl-3-[(7S)-7-(3-nitrophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-oxopyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(7S)-7-(3-nitrophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Formula: C17H15N2O5S- MolecularWeight: 359.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-10-7-14(20)16(17(21)24-10)13-9-15(25-6-5-18-13)11-3-2-4-12(8-11)19(22)23/h2-4,7-8,15,21H,5-6,9H2,1H3/p-1/t15-/m0/s1