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

Systemtic Name: ethyl 1-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)isonipecotic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C20H23N3O4S/c1-3-9-23-18(25)15-6-5-14(12-16(15)21-20(23)28)17(24)22-10-7-13(8-11-22)19(26)27-4-2/h3,5-6,12-13H,1,4,7-11H2,2H3,(H,21,28)