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

Systemtic Name: ethyl 1-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-3-34-26(33)21-14-16-29(17-15-21)24(31)19(2)35-27-28-23-12-8-7-11-22(23)25(32)30(27)18-13-20-9-5-4-6-10-20/h7-9,11-12,19,21H,3-6,10,13-18H2,1-2H3