5-[(Z)-C-methyl-N-(9H-xanthen-9-ylcarbonylamino)carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(Z)-C-methyl-N-(9H-xanthen-9-ylcarbonylamino)carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(Z)-C-methyl-N-(9H-xanthene-9-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1Z)-1-[[oxo(9H-xanthen-9-yl)methyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(Z)-C-methyl-N-(9H-xanthene-9-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(Z)-C-methyl-N-(9H-xanthene-9-carbonylamino)carbonimidoyl]-2-thenoic acid Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C4=CC=C(S4)C(=O)O

Isomeric SMILES

C/C(=N/NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)/C4=CC=C(S4)C(=O)O

InChI

InChI=1S/C21H16N2O4S/c1-12(17-10-11-18(28-17)21(25)26)22-23-20(24)19-13-6-2-4-8-15(13)27-16-9-5-3-7-14(16)19/h2-11,19H,1H3,(H,23,24)(H,25,26)/b22-12-