(4-oxidanylidene-4-thiophen-2-yl-butyl) 9H-xanthene-9-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 9H-xanthene-9-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18O4S/c23-17(20-12-6-14-27-20)9-5-13-25-22(24)21-15-7-1-3-10-18(15)26-19-11-4-2-8-16(19)21/h1-4,6-8,10-12,14,21H,5,9,13H2