5-azanyl-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylic acid

Systemtic Name: 5-azanyl-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylic acid Openeye Name: 5-amino-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylic acid CAS Name: 5-amino-4-cyano-3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-amino-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylic acid Traditional Name: 5-amino-4-cyano-3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-thenoic acid Formula: C15H12N2O4S2 MolecularWeight: 348.39678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=C(SC(=C3C#N)N)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=C(SC(=C3C#N)N)C(=O)O

InChI

InChI=1S/C15H12N2O4S2/c16-6-9-10(13(15(18)19)23-14(9)17)7-22-8-1-2-11-12(5-8)21-4-3-20-11/h1-2,5H,3-4,7,17H2,(H,18,19)