2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-1,4-benzoquinone CAS Name: 2-[(1,1-dioxo-3-thiolanyl)-methylamino]-5-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylamino]-5-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-amino]-5-methyl-p-benzoquinone Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1=O)N(C)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=CC(=O)C(=CC1=O)N(C)C2CCS(=O)(=O)C2

InChI

InChI=1S/C12H15NO4S/c1-8-5-12(15)10(6-11(8)14)13(2)9-3-4-18(16,17)7-9/h5-6,9H,3-4,7H2,1-2H3