2-(anthracen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(anthracen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(anthracene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[9-anthracenyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(anthracene-9-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(anthracene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C24H19NO3S/c26-22(25-23-21(24(27)28)18-11-5-6-12-19(18)29-23)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-4,7-10,13H,5-6,11-12H2,(H,25,26)(H,27,28)