2-[[4-[[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[(Z)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[(Z)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[(Z)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]benzoyl]amino]acetic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)O)N/C(=C/2\C=CC(=O)C=C2O)/S

InChI

InChI=1S/C16H14N2O5S/c19-11-5-6-12(13(20)7-11)16(24)18-10-3-1-9(2-4-10)15(23)17-8-14(21)22/h1-7,18,20,24H,8H2,(H,17,23)(H,21,22)/b16-12-