3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid; methylsulfanylethane

Systemtic Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid; methylsulfanylethane Openeye Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid; methylsulfanylethane CAS Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid; (methylthio)ethane IUPAC Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid; methylsulfanylethane Traditional Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid; (methylthio)ethane Formula: C14H19NO2S2 MolecularWeight: 297.43616

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Descriptors Computed from Structure

Canonical SMILES:

CCSC.CC1=CC2=C(C=C1)NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCSC.CC1=CC2=C(C=C1)NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C11H11NO2S.C3H8S/c1-6-3-4-8-9(5-6)15-10(11(13)14)7(2)12-8;1-3-4-2/h3-5,12H,1-2H3,(H,13,14);3H2,1-2H3