ethyl 4-[2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C21H23N3O5S/c1-2-28-19(26)10-5-11-22-18(25)14-30-21-23-17-9-4-3-8-16(17)20(27)24(21)13-15-7-6-12-29-15/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,22,25)