ethyl (2S)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O4S/c1-2-32-24(30)22(19-9-4-3-5-10-19)33-25-26-21-12-7-6-11-20(21)23(29)28(25)14-8-13-27-15-17-31-18-16-27/h3-7,9-12,22H,2,8,13-18H2,1H3/p+1/t22-/m0/s1