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

Systemtic Name: ethyl 1-[2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C

InChI

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