4-ethoxycarbonyl-3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxylic acid Openeye Name: 3-benzyl-4-ethoxycarbonyl-2-thioxo-1H-imidazole-5-carboxylic acid CAS Name: 4-ethoxycarbonyl-3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-5-carboxylic acid IUPAC Name: 3-benzyl-4-ethoxycarbonyl-2-sulfanylidene-1H-imidazole-5-carboxylic acid Traditional Name: 1-benzyl-5-carbethoxy-2-thioxo-4-imidazoline-4-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-2-20-13(19)11-10(12(17)18)15-14(21)16(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,21)(H,17,18)