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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C19H14ClN3O3S/c20-11-5-6-12-14(9-11)21-16(23-19(12)25)10-26-18(24)8-7-17-22-13-3-1-2-4-15(13)27-17/h1-6,9H,7-8,10H2,(H,21,23,25)