[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O5S2/c1-13(25-17(21)11-12-26-15-5-3-2-4-6-15)18(22)20-14-7-9-16(10-8-14)27(19,23)24/h2-13H,1H3,(H,20,22)(H2,19,23,24)/b12-11+/t13-/m0/s1