methyl 2-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-oxobutoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O5S/c1-29-22(28)13-9-10-14-16(11-13)23-18(25-21(14)27)12-30-20(26)8-4-7-19-24-15-5-2-3-6-17(15)31-19/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,23,25,27)