[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethoxy]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxy-(4-thiophen-2-ylsulfonylimino-1-cyclohexa-2,5-dienylidene)methanolate IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxy-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethoxy]-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C16H16N3O6S2- MolecularWeight: 410.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=C1C=CC(=NS(=O)(=O)C2=CC=CS2)C=C1)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=C1C=CC(=NS(=O)(=O)C2=CC=CS2)C=C1)[O-]

InChI

InChI=1S/C16H17N3O6S2/c1-10(14(20)18-16(22)17-2)25-15(21)11-5-7-12(8-6-11)19-27(23,24)13-4-3-9-26-13/h3-10,21H,1-2H3,(H2,17,18,20,22)/p-1/t10-/m0/s1