[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CN3C4=CC=CC=C4N=C3CSC

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CN3C4=CC=CC=C4N=C3CSC

InChI

InChI=1S/C21H20N4O3S/c1-13(20-23-15-8-4-3-7-14(15)21(27)24-20)28-19(26)11-25-17-10-6-5-9-16(17)22-18(25)12-29-2/h3-10,13H,11-12H2,1-2H3,(H,23,24,27)/t13-/m0/s1