methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H19ClN2O5S MolecularWeight: 494.94676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19ClN2O5S/c1-31-24(30)17-5-8-19-20(11-17)27-25(34-13-15-2-6-18(26)7-3-15)28(23(19)29)12-16-4-9-21-22(10-16)33-14-32-21/h2-11H,12-14H2,1H3