methyl 4-[[5-methyl-2-(phenylsulfonylamino)-1,3-thiazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[5-methyl-2-(phenylsulfonylamino)-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(benzenesulfonamido)-5-methyl-thiazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[2-(benzenesulfonamido)-5-methyl-4-thiazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzenesulfonamido)-5-methyl-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[2-(benzenesulfonamido)-5-methyl-thiazole-4-carbonyl]amino]butyric acid methyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C16H19N3O5S2/c1-11-14(15(21)17-10-6-9-13(20)24-2)18-16(25-11)19-26(22,23)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,21)(H,18,19)