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

Systemtic Name: methyl 3-[[4-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxidanylidene-3H-quinoxalin-6-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C2=C1C=CC(=C2)OC(=O)N(CCC(=O)OC)C3=CC=CC=C3)CSC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C(=O)CN(C2=C1C=CC(=C2)OC(=O)N(CCC(=O)OC)C3=CC=CC=C3)CSC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H26N4O5S/c1-30-24-13-10-22(37-28(35)32(15-14-27(34)36-2)21-6-4-3-5-7-21)16-25(24)31(18-26(30)33)19-38-23-11-8-20(17-29)9-12-23/h3-13,16H,14-15,18-19H2,1-2H3