ethyl 1-[2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C23H24ClN3O5S/c1-2-31-22(30)15-5-3-9-26(12-15)20(28)14-33-23-25-19-11-16(24)7-8-18(19)21(29)27(23)13-17-6-4-10-32-17/h4,6-8,10-11,15H,2-3,5,9,12-14H2,1H3