2-methoxy-4-[(phenethylamino)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-4-[(phenethylamino)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-[(phenethylamino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-(phenethylamino)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-[(phenethylamino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-(phenethylamino)methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(NCCC2=CC=CC=C2)S)C=CC1=O

Isomeric SMILES

COC1=CC(=C(NCCC2=CC=CC=C2)S)C=CC1=O

InChI

InChI=1S/C16H17NO2S/c1-19-15-11-13(7-8-14(15)18)16(20)17-10-9-12-5-3-2-4-6-12/h2-8,11,17,20H,9-10H2,1H3