methyl 4-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-phenylthiazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-25-19(24)16-9-7-14(8-10-16)11-21-18(23)13-27-20-22-17(12-26-20)15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,21,23)