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

Systemtic Name: ethyl 1-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

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