[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C21H15FN2O3S2 MolecularWeight: 426.483803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H15FN2O3S2/c22-15-6-3-13(4-7-15)20(17-2-1-9-28-17)24-19(25)11-27-21(26)14-5-8-16-18(10-14)29-12-23-16/h1-10,12,20H,11H2,(H,24,25)