methyl 4-[2-(9H-xanthen-9-ylcarbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-(9H-xanthen-9-ylcarbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(9H-xanthene-9-carbonylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[oxo(9H-xanthen-9-yl)methyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(9H-xanthene-9-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(9H-xanthene-9-carbonylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C23H17N3O4S/c1-29-22(28)16-10-13(11-24-16)17-12-31-23(25-17)26-21(27)20-14-6-2-4-8-18(14)30-19-9-5-3-7-15(19)20/h2-12,20,24H,1H3,(H,25,26,27)