methyl 2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2-chloroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[[2-(2-chloroanilino)-2-oxoethyl]thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 2-[[2-(2-chloroanilino)-2-keto-ethyl]thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C23H22ClN3O5S MolecularWeight: 487.95588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Cl)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Cl)CC4CCCO4

InChI

InChI=1S/C23H22ClN3O5S/c1-31-22(30)14-8-9-16-19(11-14)26-23(27(21(16)29)12-15-5-4-10-32-15)33-13-20(28)25-18-7-3-2-6-17(18)24/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,25,28)