6-[(2-methylsulfanylphenyl)carbonylamino]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[(2-methylsulfanylphenyl)carbonylamino]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-[(2-methylsulfanylbenzoyl)amino]-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[[[2-(methylthio)phenyl]-oxomethyl]amino]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-[(2-methylsulfanylbenzoyl)amino]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-[[2-(methylthio)benzoyl]amino]-piperonylic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCO3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCO3

InChI

InChI=1S/C16H13NO5S/c1-23-14-5-3-2-4-9(14)15(18)17-11-7-13-12(21-8-22-13)6-10(11)16(19)20/h2-7H,8H2,1H3,(H,17,18)(H,19,20)