2,6-dimethoxy-4-[(phenethylamino)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethoxy-4-[(phenethylamino)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethoxy-4-[(phenethylamino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-(phenethylamino)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethoxy-4-[(phenethylamino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-(phenethylamino)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(NCCC2=CC=CC=C2)S)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C(NCCC2=CC=CC=C2)S)C=C(C1=O)OC

InChI

InChI=1S/C17H19NO3S/c1-20-14-10-13(11-15(21-2)16(14)19)17(22)18-9-8-12-6-4-3-5-7-12/h3-7,10-11,18,22H,8-9H2,1-2H3