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

Systemtic Name: tert-butyl 3-[[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl 3-[[4-methyl-5-(4-methylsulfonylphenyl)thiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[4-methyl-5-(4-methylsulfonylphenyl)-2-thiazolyl]amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[5-(4-mesylphenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propionic acid tert-butyl ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S2/c1-12-16(13-6-8-14(9-7-13)29(5,25)26)28-18(21-12)22-17(24)20-11-10-15(23)27-19(2,3)4/h6-9H,10-11H2,1-5H3,(H2,20,21,22,24)