3-[(3-acetyloxyphenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid

Systemtic Name: 3-[(3-acetyloxyphenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid Openeye Name: 3-[(3-acetoxyphenyl)methyl]-2-thioxo-1H-imidazole-4-carboxylic acid CAS Name: 3-[(3-acetyloxyphenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid IUPAC Name: 3-[(3-acetyloxyphenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid Traditional Name: 3-(3-acetoxybenzyl)-2-thioxo-4-imidazoline-4-carboxylic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)CN2C(=CNC2=S)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)CN2C(=CNC2=S)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-8(16)19-10-4-2-3-9(5-10)7-15-11(12(17)18)6-14-13(15)20/h2-6H,7H2,1H3,(H,14,20)(H,17,18)