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

Systemtic Name: 4-chloranyl-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[3-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[3-[(4-keto-3-methyl-quinazolin-2-yl)thio]propanoylamino]benzoic acid Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C19H16ClN3O4S/c1-23-17(25)12-4-2-3-5-14(12)22-19(23)28-9-8-16(24)21-15-10-11(18(26)27)6-7-13(15)20/h2-7,10H,8-9H2,1H3,(H,21,24)(H,26,27)