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

Systemtic Name: methyl (2S)-2-[[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]carbamoylamino]propanoate Openeye Name: methyl (2S)-2-[[4-methyl-5-(4-methylsulfonylphenyl)thiazol-2-yl]carbamoylamino]propanoate CAS Name: (2S)-2-[[[[4-methyl-5-(4-methylsulfonylphenyl)-2-thiazolyl]amino]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]carbamoylamino]propanoate Traditional Name: (2S)-2-[[5-(4-mesylphenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propionic acid methyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)N[C@@H](C)C(=O)OC)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H19N3O5S2/c1-9-13(11-5-7-12(8-6-11)26(4,22)23)25-16(18-9)19-15(21)17-10(2)14(20)24-3/h5-8,10H,1-4H3,(H2,17,18,19,21)/t10-/m0/s1