[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N3O5S2/c28-18-21(26-29-24-3-1-2-4-25(24)36-26)17-19-5-9-22(10-6-19)35-27(31)20-7-11-23(12-8-20)37(32,33)30-13-15-34-16-14-30/h1-12,17H,13-16H2/b21-17+