(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C24H16ClN3O3S2 MolecularWeight: 493.98514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C24H16ClN3O3S2/c25-16-9-10-17-19(11-16)26-21(28-22(17)29)12-31-23(30)15-7-5-14(6-8-15)13-32-24-27-18-3-1-2-4-20(18)33-24/h1-11H,12-13H2,(H,26,28,29)