5-[4-[(Z)-N-(2-methoxyethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylic acid

Systemtic Name: 5-[4-[(Z)-N-(2-methoxyethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylic acid Openeye Name: 5-[4-[(Z)-N-(2-methoxyethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylic acid CAS Name: 5-[4-[(1Z)-1-[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]-2-furancarboxylic acid IUPAC Name: 5-[4-[(Z)-N-(2-methoxyethylcarbamothioylamino)-C-methylcarbonimidoyl]phenyl]furan-2-carboxylic acid Traditional Name: 5-[4-[(Z)-N-(2-methoxyethylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]-2-furoic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCOC)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NCCOC)/C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C17H19N3O4S/c1-11(19-20-17(25)18-9-10-23-2)12-3-5-13(6-4-12)14-7-8-15(24-14)16(21)22/h3-8H,9-10H2,1-2H3,(H,21,22)(H2,18,20,25)/b19-11-