ethyl 1-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C24H31N3O4S/c1-3-31-23(30)17-12-14-26(15-13-17)21(28)16(2)32-24-25-20-11-7-6-10-19(20)22(29)27(24)18-8-4-5-9-18/h6-7,10-11,16-18H,3-5,8-9,12-15H2,1-2H3