(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C15H12N2O3S3 MolecularWeight: 364.46238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)OCC2=CSC(=N2)C3=CSC=C3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)OCC2=CSC(=N2)C3=CSC=C3)[O-]

InChI

InChI=1S/C15H12N2O3S3/c18-14(10-22-13-3-1-2-5-17(13)19)20-7-12-9-23-15(16-12)11-4-6-21-8-11/h1-6,8-9H,7,10H2