2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxylate

Systemtic Name: 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxylate Openeye Name: 2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-oxo-3-pentyl-quinazoline-7-carboxylate CAS Name: 2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-3-pentyl-7-quinazolinecarboxylate IUPAC Name: 2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxo-3-pentylquinazoline-7-carboxylate Traditional Name: 3-amyl-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carboxylate Formula: C18H21N2O5S- MolecularWeight: 377.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)OCC

InChI

InChI=1S/C18H22N2O5S/c1-3-5-6-9-20-16(22)13-8-7-12(17(23)24)10-14(13)19-18(20)26-11-15(21)25-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,23,24)/p-1