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

Systemtic Name: methyl 2-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-(2-butoxy-2-oxo-ethyl)sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[(2-butoxy-2-oxoethyl)thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-butoxy-2-oxoethyl)sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 2-[(2-butoxy-2-keto-ethyl)thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3CCCO3

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3CCCO3

InChI

InChI=1S/C21H26N2O6S/c1-3-4-9-29-18(24)13-30-21-22-17-11-14(20(26)27-2)7-8-16(17)19(25)23(21)12-15-6-5-10-28-15/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3