ethyl 1-[5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate CAS Name: 1-[5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopentyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]pentanoyl]nipecotic acid ethyl ester Formula: C27H30ClN3O4S MolecularWeight: 528.0628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H30ClN3O4S/c1-2-35-26(34)19-9-8-15-30(18-19)24(32)14-5-6-16-36-27-29-23-13-4-3-12-22(23)25(33)31(27)21-11-7-10-20(28)17-21/h3-4,7,10-13,17,19H,2,5-6,8-9,14-16,18H2,1H3