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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c1-13(25-17(21)10-11-26-15-7-3-2-4-8-15)18(22)20-14-6-5-9-16(12-14)27(19,23)24/h2-13H,1H3,(H,20,22)(H2,19,23,24)/b11-10+/t13-/m0/s1