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

Systemtic Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O3S/c1-29-22(28)13-8-9-14-16(11-13)23-19(25-20(14)27)12-26-10-4-6-17(26)21-24-15-5-2-3-7-18(15)30-21/h2-3,5,7-9,11,17H,4,6,10,12H2,1H3,(H,23,25,27)