ethyl 2-[3-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[4-(2-furylmethylamino)-4-oxo-butyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[4-(2-furanylmethylamino)-4-oxobutyl]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[4-(2-furfurylamino)-4-keto-butyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3=CC=CO3

InChI

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