methyl 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C[C@H]4CCCO4

InChI

InChI=1S/C27H30N2O5S/c1-27(2,3)19-10-7-17(8-11-19)23(30)16-35-26-28-22-14-18(25(32)33-4)9-12-21(22)24(31)29(26)15-20-6-5-13-34-20/h7-12,14,20H,5-6,13,15-16H2,1-4H3/t20-/m1/s1