methyl 2-[2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(=O)OC

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(=O)OC

InChI

InChI=1S/C22H31N3O4S/c1-16(2)10-6-4-5-9-13-25-21(28)17-11-7-8-12-18(17)24-22(25)30-15-19(26)23-14-20(27)29-3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,23,26)