[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-chloranyl-6-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-chloranyl-6-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-chloro-6-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-chloro-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-chloro-6-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-chloro-6-methoxy-phenyl] ester Formula: C25H18ClN3O5S2 MolecularWeight: 540.01052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C=C(C#N)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C25H18ClN3O5S2/c1-15(30)28-18-7-9-19(10-8-18)36(31,32)34-24-20(26)12-16(13-22(24)33-2)11-17(14-27)25-29-21-5-3-4-6-23(21)35-25/h3-13H,1-2H3,(H,28,30)/b17-11+