methyl 4-[2-[2-(2-benzamido-1,3-thiazol-4-yl)ethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(2-benzamido-1,3-thiazol-4-yl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(2-benzamidothiazol-4-yl)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(2-benzamido-4-thiazolyl)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(2-benzamidothiazol-4-yl)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-29-21(28)17-9-7-15(8-10-17)11-12-23-19(26)13-18-14-30-22(24-18)25-20(27)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,23,26)(H,24,25,27)