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

Systemtic Name: tert-butyl 3-[[5-(3-chloranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl 3-[[5-(3-chloro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[5-(3-chloro-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propionic acid tert-butyl ester Formula: C19H24ClN3O5S2 MolecularWeight: 473.99396

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O5S2/c1-11-16(12-6-7-14(13(20)10-12)30(5,26)27)29-18(22-11)23-17(25)21-9-8-15(24)28-19(2,3)4/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23,25)