butyl 2-(9H-xanthen-9-ylcarbonylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-(9H-xanthen-9-ylcarbonylamino)-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-(9H-xanthene-9-carbonylamino)benzothiophene-3-carboxylate CAS Name: 2-[[oxo(9H-xanthen-9-yl)methyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-(9H-xanthene-9-carbonylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(9H-xanthene-9-carbonylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H23NO4S/c1-2-3-16-31-27(30)24-19-12-6-9-15-22(19)33-26(24)28-25(29)23-17-10-4-7-13-20(17)32-21-14-8-5-11-18(21)23/h4-15,23H,2-3,16H2,1H3,(H,28,29)