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

Systemtic Name: 4-[2-(3-methylquinoxalin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(3-methyl-2-quinoxalinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-methylquinoxalin-2-yl)thio]acetyl]amino]benzoic acid Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S/c1-11-17(21-15-5-3-2-4-14(15)19-11)25-10-16(22)20-13-8-6-12(7-9-13)18(23)24/h2-9H,10H2,1H3,(H,20,22)(H,23,24)