2-chloranyl-5-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propanoylamino]benzoic acid Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H18ClN3O4S/c1-3-24-18(26)13-6-4-5-7-16(13)23-20(24)29-11(2)17(25)22-12-8-9-15(21)14(10-12)19(27)28/h4-11H,3H2,1-2H3,(H,22,25)(H,27,28)