methyl 2-(2-dimethylaminoethyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2-dimethylaminoethyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-dimethylaminoethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate CAS Name: 2-(2-dimethylaminoethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-dimethylaminoethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate Traditional Name: 2-(2-dimethylaminoethyl)-1,1,3-triketo-1,2-benzothiazole-6-carboxylic acid methyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H16N2O5S/c1-14(2)6-7-15-12(16)10-5-4-9(13(17)20-3)8-11(10)21(15,18)19/h4-5,8H,6-7H2,1-3H3