ethyl (2R,3E)-2-(phenylmethyl)-3-[(3-sulfanylidene-4H-quinoxalin-2-yl)hydrazinylidene]butanoate

Systemtic Name: ethyl (2R,3E)-2-(phenylmethyl)-3-[(3-sulfanylidene-4H-quinoxalin-2-yl)hydrazinylidene]butanoate Openeye Name: ethyl (2R,3E)-2-benzyl-3-[(3-thioxo-4H-quinoxalin-2-yl)hydrazono]butanoate CAS Name: (2R,3E)-2-(phenylmethyl)-3-[(3-sulfanylidene-4H-quinoxalin-2-yl)hydrazinylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2R,3E)-2-benzyl-3-[(3-sulfanylidene-4H-quinoxalin-2-yl)hydrazinylidene]butanoate Traditional Name: (2R,3E)-2-benzyl-3-[(3-thioxo-4H-quinoxalin-2-yl)hydrazono]butyric acid ethyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=NNC2=NC3=CC=CC=C3NC2=S)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)/C(=N/NC2=NC3=CC=CC=C3NC2=S)/C

InChI

InChI=1S/C21H22N4O2S/c1-3-27-21(26)16(13-15-9-5-4-6-10-15)14(2)24-25-19-20(28)23-18-12-8-7-11-17(18)22-19/h4-12,16H,3,13H2,1-2H3,(H,22,25)(H,23,28)/b24-14+/t16-/m1/s1