S-(quinolin-3-ylamino) 6-oxidanyl-1,4-benzodioxine-2-carbothioate

Systemtic Name: S-(quinolin-3-ylamino) 6-oxidanyl-1,4-benzodioxine-2-carbothioate Openeye Name: S-(3-quinolylamino) 6-hydroxy-1,4-benzodioxine-2-carbothioate CAS Name: 6-hydroxy-1,4-benzodioxin-2-carbothioic acid S-(3-quinolinylamino) ester IUPAC Name: S-(quinolin-3-ylamino) 6-hydroxy-1,4-benzodioxine-2-carbothioate Traditional Name: 6-hydroxy-1,4-benzodioxin-2-carbothioic acid S-(3-quinolylamino) ester Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NSC(=O)C3=COC4=C(O3)C=CC(=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NSC(=O)C3=COC4=C(O3)C=CC(=C4)O

InChI

InChI=1S/C18H12N2O4S/c21-13-5-6-15-16(8-13)23-10-17(24-15)18(22)25-20-12-7-11-3-1-2-4-14(11)19-9-12/h1-10,20-21H