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

Systemtic Name: methyl 3-[[3-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[3-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxo-quinoxaline-6-carbonyl]anilino)propanoate CAS Name: 3-(N-[[3-[[(4-cyanophenyl)thio]methyl]-1-methyl-2-oxo-6-quinoxalinyl]-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[3-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxoquinoxaline-6-carbonyl]anilino)propanoate Traditional Name: 3-(N-[3-[[(4-cyanophenyl)thio]methyl]-2-keto-1-methyl-quinoxaline-6-carbonyl]anilino)propionic acid methyl ester Formula: C28H24N4O4S MolecularWeight: 512.57956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)N=C(C1=O)CSC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)N=C(C1=O)CSC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H24N4O4S/c1-31-25-13-10-20(27(34)32(15-14-26(33)36-2)21-6-4-3-5-7-21)16-23(25)30-24(28(31)35)18-37-22-11-8-19(17-29)9-12-22/h3-13,16H,14-15,18H2,1-2H3