4-[2-(4-methylquinazolin-2-yl)sulfanylethanoylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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