methyl 7-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]heptanoate

Systemtic Name: methyl 7-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]heptanoate Openeye Name: methyl 7-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]heptanoate CAS Name: 7-[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]heptanoate Traditional Name: 7-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]enanthic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)CCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

COC(=O)CCCCCCNC(=O)CCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C19H25N3O4S/c1-26-17(24)10-4-2-3-7-12-20-16(23)11-13-22-18(25)14-8-5-6-9-15(14)21-19(22)27/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,20,23)(H,21,27)