[2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-keto-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c29-23(28-25-27-20-12-6-7-13-22(20)32-25)15-31-24(30)18-14-21(16-8-2-1-3-9-16)26-19-11-5-4-10-17(18)19/h1-5,8-11,14H,6-7,12-13,15H2,(H,27,28,29)