[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)C3=CC=CS3

InChI

InChI=1S/C21H23N3O5S/c1-13(25)22-15(17-9-6-10-30-17)11-19(27)29-12-18(26)24-16-8-5-4-7-14(16)23-20(28)21(24,2)3/h4-10,15H,11-12H2,1-3H3,(H,22,25)(H,23,28)