methyl 2-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethanoate

Systemtic Name: methyl 2-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethanoate Openeye Name: methyl 2-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]acetate CAS Name: 2-[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]acetate Traditional Name: 2-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]acetic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

COC(=O)CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C17H21N3O4S/c1-24-15(22)11-18-14(21)9-3-2-6-10-20-16(23)12-7-4-5-8-13(12)19-17(20)25/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,21)(H,19,25)