S-(4-chlorophenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbothioate

Systemtic Name: S-(4-chlorophenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbothioate Openeye Name: S-(4-chlorophenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazole-3-carbothioate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoxazolecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbothioate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazole-3-carbothioic acid S-(4-chlorophenyl) ester Formula: C18H12ClNO4S MolecularWeight: 373.81018

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H12ClNO4S/c19-12-2-4-13(5-3-12)25-18(21)14-10-16(24-20-14)11-1-6-15-17(9-11)23-8-7-22-15/h1-6,9-10H,7-8H2