7-[(2-phenylsulfanylethylamino)methyl]chromen-2-one hydrochloride

Systemtic Name: 7-[(2-phenylsulfanylethylamino)methyl]chromen-2-one hydrochloride Openeye Name: 7-[(2-phenylsulfanylethylamino)methyl]chromen-2-one hydrochloride CAS Name: 7-[[2-(phenylthio)ethylamino]methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[(2-phenylsulfanylethylamino)methyl]chromen-2-one hydrochloride Traditional Name: 7-[[2-(phenylthio)ethylamino]methyl]coumarin hydrochloride Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNCC2=CC3=C(C=C2)C=CC(=O)O3.Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCNCC2=CC3=C(C=C2)C=CC(=O)O3.Cl

InChI

InChI=1S/C18H17NO2S.ClH/c20-18-9-8-15-7-6-14(12-17(15)21-18)13-19-10-11-22-16-4-2-1-3-5-16;/h1-9,12,19H,10-11,13H2;1H