2-methylsulfanylethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate

Systemtic Name: 2-methylsulfanylethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate Openeye Name: 2-methylsulfanylethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate CAS Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate Traditional Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid 2-(methylthio)ethyl ester Formula: C14H17NO2S2 MolecularWeight: 295.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(S2)C(=O)OCCSC)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(S2)C(=O)OCCSC)C

InChI

InChI=1S/C14H17NO2S2/c1-9-4-5-11-12(8-9)19-13(10(2)15-11)14(16)17-6-7-18-3/h4-5,8,15H,6-7H2,1-3H3