butyl 4-[3-[2-(thiophen-2-ylcarbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[2-(thiophen-2-ylcarbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate Openeye Name: butyl 4-[3-[2-(thiophene-2-carbonylamino)thiazol-4-yl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[2-[[oxo(thiophen-2-yl)methyl]amino]-4-thiazolyl]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate Traditional Name: 4-[3-[2-(2-thenoylamino)thiazol-4-yl]propanoylamino]benzoic acid butyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC(=N2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC(=N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H23N3O4S2/c1-2-3-12-29-21(28)15-6-8-16(9-7-15)23-19(26)11-10-17-14-31-22(24-17)25-20(27)18-5-4-13-30-18/h4-9,13-14H,2-3,10-12H2,1H3,(H,23,26)(H,24,25,27)