3-[2-(2-methylsulfanylcarbothioylsulfanylphenyl)ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-(2-methylsulfanylcarbothioylsulfanylphenyl)ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2-methylsulfanylcarbothioylsulfanylphenyl)acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[2-[[(methylthio)-sulfanylidenemethyl]thio]phenyl]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2-methylsulfanylcarbothioylsulfanylphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 2-keto-3-[[2-[2-[(methylthio)carbothioylthio]phenyl]acetyl]amino]azetidine-1-sulfonic acid Formula: C13H14N2O5S4 MolecularWeight: 406.52066

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)SC1=CC=CC=C1CC(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

CSC(=S)SC1=CC=CC=C1CC(=O)NC2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O5S4/c1-22-13(21)23-10-5-3-2-4-8(10)6-11(16)14-9-7-15(12(9)17)24(18,19)20/h2-5,9H,6-7H2,1H3,(H,14,16)(H,18,19,20)