methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(2-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CCC4=CCCCC4

InChI

InChI=1S/C25H25FN2O3S/c1-31-24(30)18-11-12-20-22(15-18)27-25(32-16-19-9-5-6-10-21(19)26)28(23(20)29)14-13-17-7-3-2-4-8-17/h5-7,9-12,15H,2-4,8,13-14,16H2,1H3