[4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C25H17N5O7S2 MolecularWeight: 563.56178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NN=C(S2)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NN=C(S2)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H17N5O7S2/c1-36-21-14-16(11-12-20(21)37-39(34,35)22-10-6-5-9-19(22)30(32)33)13-18(15-26)24-28-29-25(38-24)27-23(31)17-7-3-2-4-8-17/h2-14H,1H3,(H,27,29,31)/b18-13+