5-[[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]methyl]-4-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]methyl]-4-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]methyl]-4-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]methyl]-4-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]methyl]-4-methylthiophene-2-carboxylic acid Traditional Name: 5-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]methyl]-4-methyl-2-thenoic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)O)CNC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CC1=C(SC(=C1)C(=O)O)CNC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C16H15NO5S/c1-8-3-14(16(19)20)23-15(8)6-17-11-5-13-12(21-7-22-13)4-10(11)9(2)18/h3-5,17H,6-7H2,1-2H3,(H,19,20)