dimethyl 5-[2-(3-methylquinoxalin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-methylquinoxalin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3-methyl-2-quinoxalinyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-methylquinoxalin-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H19N3O5S/c1-12-19(24-17-7-5-4-6-16(17)22-12)30-11-18(25)23-15-9-13(20(26)28-2)8-14(10-15)21(27)29-3/h4-10H,11H2,1-3H3,(H,23,25)