[4-azanyl-5-methyl-2,2-bis(oxidanylidene)-1,2-oxathiol-5-yl]methyl benzoate

Systemtic Name: [4-azanyl-5-methyl-2,2-bis(oxidanylidene)-1,2-oxathiol-5-yl]methyl benzoate Openeye Name: (4-amino-5-methyl-2,2-dioxo-oxathiol-5-yl)methyl benzoate CAS Name: benzoic acid (4-amino-5-methyl-2,2-dioxo-5-oxathiolyl)methyl ester IUPAC Name: (4-amino-5-methyl-2,2-dioxooxathiol-5-yl)methyl benzoate Traditional Name: benzoic acid (4-amino-2,2-diketo-5-methyl-oxathiol-5-yl)methyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CS(=O)(=O)O1)N)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1(C(=CS(=O)(=O)O1)N)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO5S/c1-12(10(13)7-19(15,16)18-12)8-17-11(14)9-5-3-2-4-6-9/h2-7H,8,13H2,1H3