4-[[2-(3-methylquinoxalin-2-yl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-methylquinoxalin-2-yl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(3-methyl-2-quinoxalinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(3-methylquinoxalin-2-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O3S/c1-12-18(22-16-5-3-2-4-15(16)21-12)26-11-17(23)20-10-13-6-8-14(9-7-13)19(24)25/h2-9H,10-11H2,1H3,(H,20,23)(H,24,25)