methyl 2-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoate Openeye Name: methyl 2-[[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoate CAS Name: 2-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]benzoate Traditional Name: 2-[[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]benzoic acid methyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

COC(=O)C1=CC=CC=C1N/C(=C\2/C=CC(=O)C=C2O)/S

InChI

InChI=1S/C15H13NO4S/c1-20-15(19)10-4-2-3-5-12(10)16-14(21)11-7-6-9(17)8-13(11)18/h2-8,16,18,21H,1H3/b14-11+