4-(aminomethyl)-3-butyl-3,4-dihydro-1H-isothiochromene-5,6-diol

Systemtic Name: 4-(aminomethyl)-3-butyl-3,4-dihydro-1H-isothiochromene-5,6-diol Openeye Name: 4-(aminomethyl)-3-butyl-isothiochromane-5,6-diol CAS Name: 4-(aminomethyl)-3-butyl-3,4-dihydro-1H-2-benzothiopyran-5,6-diol IUPAC Name: 4-(aminomethyl)-3-butyl-3,4-dihydro-1H-isothiochromene-5,6-diol Traditional Name: 4-(aminomethyl)-3-butyl-isothiochroman-5,6-diol Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2=C(CS1)C=CC(=C2O)O)CN

Isomeric SMILES

CCCCC1C(C2=C(CS1)C=CC(=C2O)O)CN

InChI

InChI=1S/C14H21NO2S/c1-2-3-4-12-10(7-15)13-9(8-18-12)5-6-11(16)14(13)17/h5-6,10,12,16-17H,2-4,7-8,15H2,1H3