2-[[2-methyl-3-oxidanylidene-1-(2-thiophen-2-ylethanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-methyl-3-oxidanylidene-1-(2-thiophen-2-ylethanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-methyl-3-oxo-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-methyl-3-oxo-1-(1-oxo-2-thiophen-2-ylethyl)-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-methyl-3-oxo-1-(2-thiophen-2-ylacetyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-keto-2-methyl-1-[2-(2-thienyl)acetyl]-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(N1C(=O)CC3=CC=CS3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(N1C(=O)CC3=CC=CS3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23N3O5S/c1-15-23(30)26-19-13-17(9-10-21(19)28(15)22(29)14-18-8-5-11-34-18)24(31)27-20(25(32)33)12-16-6-3-2-4-7-16/h2-11,13,15,20H,12,14H2,1H3,(H,26,30)(H,27,31)(H,32,33)