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

Systemtic Name: ethyl 1-[2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C26H29N3O5S/c1-3-33-20-13-11-19(12-14-20)29-24(31)21-9-5-6-10-22(21)27-26(29)35-17-23(30)28-15-7-8-18(16-28)25(32)34-4-2/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3