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

Systemtic Name: ethyl 1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H24ClN3O4S/c1-2-32-23(31)16-7-6-12-27(14-16)21(29)15-33-24-26-20-11-4-3-10-19(20)22(30)28(24)18-9-5-8-17(25)13-18/h3-5,8-11,13,16H,2,6-7,12,14-15H2,1H3