2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid

Systemtic Name: 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[2-(4-ethoxyphenoxy)ethylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-benzyl-2-[2-(4-ethoxyphenoxy)ethylthio]-4-keto-quinazoline-7-carboxylic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O5S/c1-2-32-20-9-11-21(12-10-20)33-14-15-34-26-27-23-16-19(25(30)31)8-13-22(23)24(29)28(26)17-18-6-4-3-5-7-18/h3-13,16H,2,14-15,17H2,1H3,(H,30,31)