2-(1-benzofuran-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(benzofuran-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(benzofuran-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C18H15NO4S/c20-16(13-9-10-5-1-3-7-12(10)23-13)19-17-15(18(21)22)11-6-2-4-8-14(11)24-17/h1,3,5,7,9H,2,4,6,8H2,(H,19,20)(H,21,22)