methyl 2-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[[2-(3-isoxazolylamino)-2-oxoethyl]thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 2-[[2-(isoxazol-3-ylamino)-2-keto-ethyl]thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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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=NOC=C3)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=NOC=C3)CC4CCCO4

InChI

InChI=1S/C20H20N4O6S/c1-28-19(27)12-4-5-14-15(9-12)21-20(24(18(14)26)10-13-3-2-7-29-13)31-11-17(25)22-16-6-8-30-23-16/h4-6,8-9,13H,2-3,7,10-11H2,1H3,(H,22,23,25)