2-(1,3-benzodioxol-5-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Traditional Name: 2-(piperonyloylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17NO5S/c20-16(10-6-7-12-13(8-10)24-9-23-12)19-17-15(18(21)22)11-4-2-1-3-5-14(11)25-17/h6-8H,1-5,9H2,(H,19,20)(H,21,22)