(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C20H15ClN2O2S2 MolecularWeight: 414.9283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C20H15ClN2O2S2/c21-17-13-5-1-2-6-15(13)26-18(17)19(24)25-12-7-8-14-16(11-12)27-20(22-14)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2