3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]butyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]butyl 4-methylbenzenesulfonate Openeye Name: 3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]butyl ester IUPAC Name: 3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]butyl ester Formula: C27H28ClNO6S2 MolecularWeight: 562.09732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OC2=C(C=C(C=C2)OC)C3N(C4=C(S3)C=C(C=C4)Cl)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OC2=C(C=C(C=C2)OC)C3N(C4=C(S3)C=C(C=C4)Cl)C(=O)C

InChI

InChI=1S/C27H28ClNO6S2/c1-17-5-9-22(10-6-17)37(31,32)34-14-13-18(2)35-25-12-8-21(33-4)16-23(25)27-29(19(3)30)24-11-7-20(28)15-26(24)36-27/h5-12,15-16,18,27H,13-14H2,1-4H3