[2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(phenylmethyl)benzoate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(phenylmethyl)benzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-benzylbenzoate CAS Name: 4-(phenylmethyl)benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-benzylbenzoate Traditional Name: 4-benzylbenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c1-3-27(4-2)25-26-22-15-14-21(17-23(22)30-25)29-24(28)20-12-10-19(11-13-20)16-18-8-6-5-7-9-18/h5-15,17H,3-4,16H2,1-2H3