methyl 4-(4-bromophenyl)-2-(9H-xanthen-9-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(9H-xanthen-9-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[oxo(9H-xanthen-9-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylic acid methyl ester Formula: C26H18BrNO4S MolecularWeight: 520.39442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H18BrNO4S/c1-31-26(30)23-19(15-10-12-16(27)13-11-15)14-33-25(23)28-24(29)22-17-6-2-4-8-20(17)32-21-9-5-3-7-18(21)22/h2-14,22H,1H3,(H,28,29)