(3S)-3-[(2-methylsulfanylcarbothioylsulfanyl-2-phenyl-ethanoyl)amino]-2-oxidanylidene-azetidine-1-sulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)SC(C1=CC=CC=C1)C(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

CSC(=S)SC(C1=CC=CC=C1)C(=O)N[C@H]2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O5S4/c1-22-13(21)23-10(8-5-3-2-4-6-8)11(16)14-9-7-15(12(9)17)24(18,19)20/h2-6,9-10H,7H2,1H3,(H,14,16)(H,18,19,20)/t9-,10?/m0/s1