3-(4-methylphenyl)-5-[2-(1,3-oxathiolan-2-yl)pyrrol-1-yl]-2,1-benzoxazole

Systemtic Name: 3-(4-methylphenyl)-5-[2-(1,3-oxathiolan-2-yl)pyrrol-1-yl]-2,1-benzoxazole Openeye Name: 5-[2-(1,3-oxathiolan-2-yl)pyrrol-1-yl]-3-(p-tolyl)-2,1-benzoxazole CAS Name: 3-(4-methylphenyl)-5-[2-(1,3-oxathiolan-2-yl)-1-pyrrolyl]-2,1-benzoxazole IUPAC Name: 3-(4-methylphenyl)-5-[2-(1,3-oxathiolan-2-yl)pyrrol-1-yl]-2,1-benzoxazole Traditional Name: 5-[2-(1,3-oxathiolan-2-yl)pyrrol-1-yl]-3-(p-tolyl)anthranil Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)N4C=CC=C4C5OCCS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)N4C=CC=C4C5OCCS5

InChI

InChI=1S/C21H18N2O2S/c1-14-4-6-15(7-5-14)20-17-13-16(8-9-18(17)22-25-20)23-10-2-3-19(23)21-24-11-12-26-21/h2-10,13,21H,11-12H2,1H3