1-[2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O4S/c24-17-6-7-18-19(12-17)25-23(27(21(18)29)13-15-4-2-1-3-5-15)32-14-20(28)26-10-8-16(9-11-26)22(30)31/h1-7,12,16H,8-11,13-14H2,(H,30,31)