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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-12(10(13)7-19(15,16)18-12)9-5-3-8(4-6-9)11(14)17-2/h3-7H,13H2,1-2H3