methyl 4-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O4S/c1-16(2)29-14-6-13-25-21(26)19-7-4-5-8-20(19)24-23(25)30-15-17-9-11-18(12-10-17)22(27)28-3/h4-5,7-12,16H,6,13-15H2,1-3H3