methyl 1-[2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H22ClN3O5S/c1-30-21(29)14-6-8-25(9-7-14)19(27)13-32-22-24-18-11-15(23)4-5-17(18)20(28)26(22)12-16-3-2-10-31-16/h2-5,10-11,14H,6-9,12-13H2,1H3