ethyl 4-[2-(3-phenylquinoxalin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3-phenylquinoxalin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-phenylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(3-phenyl-2-quinoxalinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-phenylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-phenylquinoxalin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-2-31-25(30)18-12-14-19(15-13-18)26-22(29)16-32-24-23(17-8-4-3-5-9-17)27-20-10-6-7-11-21(20)28-24/h3-15H,2,16H2,1H3,(H,26,29)