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

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C21H17ClN2O2S2 MolecularWeight: 428.95488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H17ClN2O2S2/c22-18-14-6-2-3-7-16(14)27-19(18)20(25)26-13-8-9-15-17(12-13)28-21(23-15)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2