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

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(7S)-7-thiophen-2-yl-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Openeye Name: 6-methyl-4-oxo-3-[(7S)-7-(2-thienyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate CAS Name: 6-methyl-4-oxo-3-[(7S)-7-thiophen-2-yl-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-2-pyranolate IUPAC Name: 6-methyl-4-oxo-3-[(7S)-7-thiophen-2-yl-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(7S)-7-(2-thienyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Formula: C15H14NO3S2- MolecularWeight: 320.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C2=NCCSC(C2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C2=NCCS[C@@H](C2)C3=CC=CS3

InChI

InChI=1S/C15H15NO3S2/c1-9-7-11(17)14(15(18)19-9)10-8-13(21-6-4-16-10)12-3-2-5-20-12/h2-3,5,7,13,18H,4,6,8H2,1H3/p-1/t13-/m0/s1