ethyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H31N3O4S/c1-5-34-26(33)20-10-12-29(13-11-20)24(31)19(4)35-27-28-23-9-7-6-8-22(23)25(32)30(27)21-15-17(2)14-18(3)16-21/h6-9,14-16,19-20H,5,10-13H2,1-4H3