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

Systemtic Name: ethyl 1-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC(CC4)C(=O)OCC

InChI

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