S-[(2-butylphenyl)amino] 6-oxidanyl-1,4-benzodioxine-2-carbothioate

Systemtic Name: S-[(2-butylphenyl)amino] 6-oxidanyl-1,4-benzodioxine-2-carbothioate Openeye Name: S-(2-butylanilino) 6-hydroxy-1,4-benzodioxine-2-carbothioate CAS Name: 6-hydroxy-1,4-benzodioxin-2-carbothioic acid S-(2-butylanilino) ester IUPAC Name: S-(2-butylanilino) 6-hydroxy-1,4-benzodioxine-2-carbothioate Traditional Name: 6-hydroxy-1,4-benzodioxin-2-carbothioic acid S-(2-butylanilino) ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NSC(=O)C2=COC3=C(O2)C=CC(=C3)O

Isomeric SMILES

CCCCC1=CC=CC=C1NSC(=O)C2=COC3=C(O2)C=CC(=C3)O

InChI

InChI=1S/C19H19NO4S/c1-2-3-6-13-7-4-5-8-15(13)20-25-19(22)18-12-23-17-11-14(21)9-10-16(17)24-18/h4-5,7-12,20-21H,2-3,6H2,1H3