[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-chloranyl-4-methoxy-benzoate

Systemtic Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-chloranyl-4-methoxy-benzoate Openeye Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-chloro-4-methoxy-benzoate CAS Name: 3-chloro-4-methoxybenzoic acid [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-chloro-4-methoxybenzoate Traditional Name: 3-chloro-4-methoxy-benzoic acid [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] ester Formula: C22H16ClNO3S MolecularWeight: 409.88534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C22H16ClNO3S/c1-13-3-9-18-20(11-13)28-21(24-18)14-4-7-16(8-5-14)27-22(25)15-6-10-19(26-2)17(23)12-15/h3-12H,1-2H3