methyl 4-[2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-(3-benzylsulfonylpropanoylamino)thiazol-4-yl]benzoate CAS Name: 4-[2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-benzylsulfonylpropanoylamino)-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-(3-benzylsulfonylpropanoylamino)thiazol-4-yl]benzoic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S2/c1-28-20(25)17-9-7-16(8-10-17)18-13-29-21(22-18)23-19(24)11-12-30(26,27)14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,22,23,24)