ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(p-tolyl)thiazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-(4-methylphenyl)-2-thiazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(p-tolyl)thiazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20N2O3S2/c1-3-26-20(25)16-8-10-17(11-9-16)22-19(24)13-28-21-23-18(12-27-21)15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,22,24)