ethyl 1-[[3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-keto-3-(2-methoxyethyl)-2-thioxo-1H-quinazoline-7-carbonyl]nipecotic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

InChI

InChI=1S/C20H25N3O5S/c1-3-28-19(26)14-5-4-8-22(12-14)17(24)13-6-7-15-16(11-13)21-20(29)23(18(15)25)9-10-27-2/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,21,29)