tert-butyl 3-[[4-methyl-5-(1-methylsulfonylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoylamino]propanoate

Systemtic Name: tert-butyl 3-[[4-methyl-5-(1-methylsulfonylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl 3-[[4-methyl-5-(1-methylsulfonylpyrazol-4-yl)thiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[4-methyl-5-(1-methylsulfonyl-4-pyrazolyl)-2-thiazolyl]amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-methyl-5-(1-methylsulfonylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[5-(1-mesylpyrazol-4-yl)-4-methyl-thiazol-2-yl]carbamoylamino]propionic acid tert-butyl ester Formula: C16H23N5O5S2 MolecularWeight: 429.51432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCCC(=O)OC(C)(C)C)C2=CN(N=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCCC(=O)OC(C)(C)C)C2=CN(N=C2)S(=O)(=O)C

InChI

InChI=1S/C16H23N5O5S2/c1-10-13(11-8-18-21(9-11)28(5,24)25)27-15(19-10)20-14(23)17-7-6-12(22)26-16(2,3)4/h8-9H,6-7H2,1-5H3,(H2,17,19,20,23)