[2-(diethylamino)-1,3-benzothiazol-6-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H17ClN2O2S2/c1-3-23(4-2)20-22-14-10-9-12(11-16(14)27-20)25-19(24)18-17(21)13-7-5-6-8-15(13)26-18/h5-11H,3-4H2,1-2H3