[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H16N2O3S2/c24-19(22-12-14-6-5-11-27-14)13-26-21(25)16-8-2-1-7-15(16)20-23-17-9-3-4-10-18(17)28-20/h1-11H,12-13H2,(H,22,24)