3-(7-chloranyl-2-ethylsulfanyl-4-oxidanylidene-quinazolin-3-yl)propanoic acid

Systemtic Name: 3-(7-chloranyl-2-ethylsulfanyl-4-oxidanylidene-quinazolin-3-yl)propanoic acid Openeye Name: 3-(7-chloro-2-ethylsulfanyl-4-oxo-quinazolin-3-yl)propanoic acid CAS Name: 3-[7-chloro-2-(ethylthio)-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-(7-chloro-2-ethylsulfanyl-4-oxoquinazolin-3-yl)propanoic acid Traditional Name: 3-[7-chloro-2-(ethylthio)-4-keto-quinazolin-3-yl]propionic acid Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(=O)O

Isomeric SMILES

CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(=O)O

InChI

InChI=1S/C13H13ClN2O3S/c1-2-20-13-15-10-7-8(14)3-4-9(10)12(19)16(13)6-5-11(17)18/h3-4,7H,2,5-6H2,1H3,(H,17,18)