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

Systemtic Name: 4-methyl-3-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H17N3O3S2/c1-13-8-9-14(22(27)28)11-17(13)23-19(26)12-30-21-15-5-2-3-6-16(15)24-20(25-21)18-7-4-10-29-18/h2-11H,12H2,1H3,(H,23,26)(H,27,28)