[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3)SCC4=CSC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3)SCC4=CSC=N4

InChI

InChI=1S/C22H17N3O3S2/c26-21(25-19-8-3-7-18-16(19)6-4-10-23-18)11-28-22(27)17-5-1-2-9-20(17)30-13-15-12-29-14-24-15/h1-10,12,14H,11,13H2,(H,25,26)