(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-[2,4-bis(chloranyl)phenoxy]ethanoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-[2,4-bis(chloranyl)phenoxy]ethanoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-(2,4-dichlorophenoxy)acetate CAS Name: 2-(2,4-dichlorophenoxy)acetic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-(2,4-dichlorophenoxy)acetate Traditional Name: 2-(2,4-dichlorophenoxy)acetic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C19H16Cl2N2O3S MolecularWeight: 423.31294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)COC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)COC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O3S/c20-12-3-6-16(14(21)9-12)25-11-18(24)26-13-4-5-15-17(10-13)27-19(22-15)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2