[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-[[(E)-styryl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]propionic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)CCNS(=O)(=O)C=CC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=O)CCNS(=O)(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C16H21N3O6S/c1-12(15(21)19-16(22)17-2)25-14(20)8-10-18-26(23,24)11-9-13-6-4-3-5-7-13/h3-7,9,11-12,18H,8,10H2,1-2H3,(H2,17,19,21,22)/b11-9+/t12-/m0/s1