methyl 4-oxidanylidene-2-(2-oxidanylidenecycloheptyl)sulfanyl-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidenecycloheptyl)sulfanyl-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(2-oxocycloheptyl)sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(2-oxocycloheptyl)thio]-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2-oxocycloheptyl)sulfanyl-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-ketocycloheptyl)thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3CCCCCC3=O)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3CCCCCC3=O)CC4CCCO4

InChI

InChI=1S/C22H26N2O5S/c1-28-21(27)14-9-10-16-17(12-14)23-22(30-19-8-4-2-3-7-18(19)25)24(20(16)26)13-15-6-5-11-29-15/h9-10,12,15,19H,2-8,11,13H2,1H3