ethyl 1-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3,5-dimethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(3,5-dimethyl-4-oxo-2-quinazolinyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3,5-dimethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(4-keto-3,5-dimethyl-quinazolin-2-yl)thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC(=C4C(=O)N3C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC(=C4C(=O)N3C)C

InChI

InChI=1S/C26H29N3O4S/c1-4-33-25(32)20-12-14-29(15-13-20)23(30)19-10-8-18(9-11-19)16-34-26-27-21-7-5-6-17(2)22(21)24(31)28(26)3/h5-11,20H,4,12-16H2,1-3H3