(2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid (2-phenylthiazol-4-yl)methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S/c1-2-3-15-28-22-12-8-7-11-20(22)27-21(25(28)30)13-14-23(29)31-16-19-17-32-24(26-19)18-9-5-4-6-10-18/h4-12,17H,2-3,13-16H2,1H3