methyl 2-[2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-(1-azocanyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCCC3

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-27-18(25)13-23-19(26)15-9-5-6-10-16(15)21-20(23)28-14-17(24)22-11-7-3-2-4-8-12-22/h5-6,9-10H,2-4,7-8,11-14H2,1H3