3-[[3-ethyl-4-oxidanylidene-5-(phenylazanylmethylidene)-1,3-thiazol-3-ium-2-yl]sulfanyl]propane-1-sulfonate

Systemtic Name: 3-[[3-ethyl-4-oxidanylidene-5-(phenylazanylmethylidene)-1,3-thiazol-3-ium-2-yl]sulfanyl]propane-1-sulfonate Openeye Name: 3-[5-(anilinomethylene)-3-ethyl-4-oxo-thiazol-3-ium-2-yl]sulfanylpropane-1-sulfonate CAS Name: 3-[[5-(anilinomethylidene)-3-ethyl-4-oxo-2-thiazol-3-iumyl]thio]-1-propanesulfonate IUPAC Name: 3-[[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazol-3-ium-2-yl]sulfanyl]propane-1-sulfonate Traditional Name: 3-[[5-(anilinomethylene)-3-ethyl-4-keto-2-thiazolin-3-ium-2-yl]thio]propane-1-sulfonate Formula: C15H18N2O4S3 MolecularWeight: 386.50942

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=CNC2=CC=CC=C2)C1=O)SCCCS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC(=CNC2=CC=CC=C2)C1=O)SCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H18N2O4S3/c1-2-17-14(18)13(11-16-12-7-4-3-5-8-12)23-15(17)22-9-6-10-24(19,20)21/h3-5,7-8,11H,2,6,9-10H2,1H3,(H-,16,18,19,20,21)