4-[methyl(4-phenoxybut-2-ynyl)amino]thiochromen-2-one

Systemtic Name: 4-[methyl(4-phenoxybut-2-ynyl)amino]thiochromen-2-one Openeye Name: 4-[methyl(4-phenoxybut-2-ynyl)amino]thiochromen-2-one CAS Name: 4-[methyl(4-phenoxybut-2-ynyl)amino]-1-benzothiopyran-2-one IUPAC Name: 4-[methyl(4-phenoxybut-2-ynyl)amino]thiochromen-2-one Traditional Name: 4-[methyl(4-phenoxybut-2-ynyl)amino]thiochromen-2-one Formula: C20H17NO2S MolecularWeight: 335.41948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCOC1=CC=CC=C1)C2=CC(=O)SC3=CC=CC=C32

Isomeric SMILES

CN(CC#CCOC1=CC=CC=C1)C2=CC(=O)SC3=CC=CC=C32

InChI

InChI=1S/C20H17NO2S/c1-21(13-7-8-14-23-16-9-3-2-4-10-16)18-15-20(22)24-19-12-6-5-11-17(18)19/h2-6,9-12,15H,13-14H2,1H3