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

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(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=CC2=C(C=CC=N2)C(=C1)NC(=O)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

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