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

Systemtic Name: tert-butyl 3-[[5-(3-cyano-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl 3-[[5-(3-cyano-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[5-(3-cyano-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propionic acid tert-butyl ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S2/c1-12-17(13-6-7-15(31(5,27)28)14(10-13)11-21)30-19(23-12)24-18(26)22-9-8-16(25)29-20(2,3)4/h6-7,10H,8-9H2,1-5H3,(H2,22,23,24,26)