ethyl 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+]3CCOCC3

InChI

InChI=1S/C18H23N3O4S/c1-2-25-16(22)13-26-18-19-15-6-4-3-5-14(15)17(23)21(18)8-7-20-9-11-24-12-10-20/h3-6H,2,7-13H2,1H3/p+1