2-azanyl-7-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 2-azanyl-7-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 2-amino-7-[(1,3-benzodioxole-5-carbonylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 2-amino-7-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 2-amino-7-[(1,3-benzodioxole-5-carbonylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 2-amino-7-[(piperonyloylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C(=C(S2)N)C(=O)O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(C2=C1C(=C(S2)N)C(=O)O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N2O6S/c18-15-13(17(21)22)9-3-4-23-12(14(9)26-15)6-19-16(20)8-1-2-10-11(5-8)25-7-24-10/h1-2,5,12H,3-4,6-7,18H2,(H,19,20)(H,21,22)