[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(2S)-1-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22N2O5S2/c1-4-15-8-10-16(11-9-15)19-13-30-22(23-19)24-20(25)14(2)29-21(26)17-6-5-7-18(12-17)31(3,27)28/h5-14H,4H2,1-3H3,(H,23,24,25)/t14-/m0/s1