ethyl 3-[[4-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxidanylidene-3H-quinoxalin-6-yl]oxycarbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[4-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxidanylidene-3H-quinoxalin-6-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-[N-[[4-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxo-3H-quinoxalin-6-yl]oxycarbonyl]anilino]propanoate CAS Name: 3-(N-[[4-[[(4-cyanophenyl)thio]methyl]-1-methyl-2-oxo-3H-quinoxalin-6-yl]oxy-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[N-[[4-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxo-3H-quinoxalin-6-yl]oxycarbonyl]anilino]propanoate Traditional Name: 3-[N-[[4-[[(4-cyanophenyl)thio]methyl]-2-keto-1-methyl-3H-quinoxalin-6-yl]oxycarbonyl]anilino]propionic acid ethyl ester Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=O)CN3CSC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=O)CN3CSC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C29H28N4O5S/c1-3-37-28(35)15-16-33(22-7-5-4-6-8-22)29(36)38-23-11-14-25-26(17-23)32(19-27(34)31(25)2)20-39-24-12-9-21(18-30)10-13-24/h4-14,17H,3,15-16,19-20H2,1-2H3