methyl 4-[2-[2-(phenylmethyl)sulfonylethanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[2-(phenylmethyl)sulfonylethanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[(2-benzylsulfonylacetyl)amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-benzylsulfonylacetyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[(2-benzylsulfonylacetyl)amino]thiazol-4-yl]benzoic acid methyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S2/c1-27-19(24)16-9-7-15(8-10-16)17-11-28-20(21-17)22-18(23)13-29(25,26)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,22,23)