3-(2-fluorophenyl)-2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylic acid

Systemtic Name: 3-(2-fluorophenyl)-2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylic acid Openeye Name: 3-(2-fluorophenyl)-2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 3-(2-fluorophenyl)-2-[[2-(methylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid IUPAC Name: 3-(2-fluorophenyl)-2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-(2-fluorophenyl)-4-keto-2-[[2-keto-2-(methylamino)ethyl]thio]quinazoline-7-carboxylic acid Formula: C18H14FN3O4S MolecularWeight: 387.384863

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1C3=CC=CC=C3F

Isomeric SMILES

CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1C3=CC=CC=C3F

InChI

InChI=1S/C18H14FN3O4S/c1-20-15(23)9-27-18-21-13-8-10(17(25)26)6-7-11(13)16(24)22(18)14-5-3-2-4-12(14)19/h2-8H,9H2,1H3,(H,20,23)(H,25,26)