methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 2-benzylsulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(benzylthio)-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C22H18N2O4S/c1-27-21(26)16-9-10-18-19(12-16)23-22(29-14-15-6-3-2-4-7-15)24(20(18)25)13-17-8-5-11-28-17/h2-12H,13-14H2,1H3