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

Systemtic Name: ethyl 3-[[3-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H26N4O4S MolecularWeight: 526.60614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)CSC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)CSC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C29H26N4O4S/c1-3-37-27(34)15-16-33(22-7-5-4-6-8-22)28(35)21-11-14-26-24(17-21)31-25(29(36)32(26)2)19-38-23-12-9-20(18-30)10-13-23/h4-14,17H,3,15-16,19H2,1-2H3