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

Systemtic Name: ethyl 1-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C26H29N3O4S/c1-3-18-11-13-20(14-12-18)29-24(31)21-9-5-6-10-22(21)27-26(29)34-17-23(30)28-15-7-8-19(16-28)25(32)33-4-2/h5-6,9-14,19H,3-4,7-8,15-17H2,1-2H3