2-(hydroxymethyl)-3-[(phenethylamino)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one

Systemtic Name: 2-(hydroxymethyl)-3-[(phenethylamino)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 2-(hydroxymethyl)-3-[(phenethylamino)methyl]-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 2-(hydroxymethyl)-3-[(phenethylamino)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 2-(hydroxymethyl)-3-[(phenethylamino)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 2-methylol-3-[(phenethylamino)methyl]-6,7-dihydro-5H-benzothiophen-4-one Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(S2)CO)CNCCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(S2)CO)CNCCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO2S/c20-12-17-14(18-15(21)7-4-8-16(18)22-17)11-19-10-9-13-5-2-1-3-6-13/h1-3,5-6,19-20H,4,7-12H2