ethyl (E)-3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(piazthiol-4-ylsulfonylamino)anilino]acrylic acid ethyl ester Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NSN=C32)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NSN=C32)/C#N

InChI

InChI=1S/C18H15N5O4S2/c1-2-27-18(24)12(10-19)11-20-13-6-3-4-7-14(13)23-29(25,26)16-9-5-8-15-17(16)22-28-21-15/h3-9,11,20,23H,2H2,1H3/b12-11+