ethyl 2-[(3-phenylquinoxalin-2-yl)carbothioylamino]propanoate

Systemtic Name: ethyl 2-[(3-phenylquinoxalin-2-yl)carbothioylamino]propanoate Openeye Name: ethyl 2-[(3-phenylquinoxaline-2-carbothioyl)amino]propanoate CAS Name: 2-[[(3-phenyl-2-quinoxalinyl)-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-phenylquinoxaline-2-carbothioyl)amino]propanoate Traditional Name: 2-[(3-phenylquinoxaline-2-carbothioyl)amino]propionic acid ethyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=S)C1=NC2=CC=CC=C2N=C1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)NC(=S)C1=NC2=CC=CC=C2N=C1C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S/c1-3-25-20(24)13(2)21-19(26)18-17(14-9-5-4-6-10-14)22-15-11-7-8-12-16(15)23-18/h4-13H,3H2,1-2H3,(H,21,26)