ethyl 1-[4-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]butanoyl]isonipecotic acid ethyl ester Formula: C26H28ClN3O4S MolecularWeight: 514.03622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O4S/c1-2-34-25(33)18-12-14-29(15-13-18)23(31)11-6-16-35-26-28-22-10-4-3-9-21(22)24(32)30(26)20-8-5-7-19(27)17-20/h3-5,7-10,17-18H,2,6,11-16H2,1H3