methyl 4-[[(7-oxidanylidene-1,4,5-oxadithiepin-2-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(7-oxidanylidene-1,4,5-oxadithiepin-2-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(7-oxo-1,4,5-oxadithiepin-2-yl)amino]methyl]benzoate CAS Name: 4-[[(7-oxo-1,4,5-oxadithiepin-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(7-oxo-1,4,5-oxadithiepin-2-yl)amino]methyl]benzoate Traditional Name: 4-[[(7-keto-1,4,5-oxadithiepin-2-yl)amino]methyl]benzoic acid methyl ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=CSSCC(=O)O2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=CSSCC(=O)O2

InChI

InChI=1S/C13H13NO4S2/c1-17-13(16)10-4-2-9(3-5-10)6-14-11-7-19-20-8-12(15)18-11/h2-5,7,14H,6,8H2,1H3