2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)terephthalic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

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