ethyl 1-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C24H32ClN3O4S MolecularWeight: 494.04658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C24H32ClN3O4S/c1-5-32-23(31)17-9-11-27(12-10-17)21(29)16(4)33-24-26-20-14-18(25)6-7-19(20)22(30)28(24)13-8-15(2)3/h6-7,14-17H,5,8-13H2,1-4H3