methyl 3-butyl-4-oxidanylidene-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-4-oxo-2-[(3S)-2-oxotetrahydrofuran-3-yl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[(3S)-2-oxo-3-oxolanyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[(3S)-2-ketotetrahydrofuran-3-yl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC3CCOC3=O

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H]3CCOC3=O

InChI

InChI=1S/C18H20N2O5S/c1-3-4-8-20-15(21)12-6-5-11(16(22)24-2)10-13(12)19-18(20)26-14-7-9-25-17(14)23/h5-6,10,14H,3-4,7-9H2,1-2H3/t14-/m0/s1