methyl 4-[(2-thiophen-2-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-thiophen-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[[2-(2-thienylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-thiophen-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(2-thienylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC=CS2

InChI

InChI=1S/C15H15NO3S2/c1-19-15(18)12-6-4-11(5-7-12)9-16-13(17)10-21-14-3-2-8-20-14/h2-8H,9-10H2,1H3,(H,16,17)