3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]butanoylamino]benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2CC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C21H21N3O4S/c1-3-17(18(25)22-14-9-7-8-13(12-14)20(27)28)29-21-23-16-11-6-5-10-15(16)19(26)24(21)4-2/h5-12,17H,3-4H2,1-2H3,(H,22,25)(H,27,28)