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

Systemtic Name: ethyl 1-[2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-keto-3-(3-phenylpropyl)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)N2CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-2-34-26(33)21-13-9-16-29(18-21)24(31)19-35-27-28-23-15-7-6-14-22(23)25(32)30(27)17-8-12-20-10-4-3-5-11-20/h3-7,10-11,14-15,21H,2,8-9,12-13,16-19H2,1H3