ethyl 1-[2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetyl]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)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H31N3O4S/c1-4-34-26(33)20-13-15-29(16-14-20)24(31)17-35-27-28-23-8-6-5-7-22(23)25(32)30(27)21-11-9-19(10-12-21)18(2)3/h5-12,18,20H,4,13-17H2,1-3H3