tert-butyl 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C19H19ClN2O4S/c1-19(2,3)26-16(23)11-27-18-21-15-9-12(20)6-7-14(15)17(24)22(18)10-13-5-4-8-25-13/h4-9H,10-11H2,1-3H3