methyl 3-[2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O5S/c1-29-12-6-11-25-20(27)17-9-3-4-10-18(17)24-22(25)31-14-19(26)23-16-8-5-7-15(13-16)21(28)30-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,26)