methyl 2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(9H-xanthen-9-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C24H21NO4S/c1-28-24(27)21-16-10-4-7-13-19(16)30-23(21)25-22(26)20-14-8-2-5-11-17(14)29-18-12-6-3-9-15(18)20/h2-3,5-6,8-9,11-12,20H,4,7,10,13H2,1H3,(H,25,26)