7-(1-benzothiophen-2-yl)-5-oxidanyl-4-propyl-chromen-2-one

Systemtic Name: 7-(1-benzothiophen-2-yl)-5-oxidanyl-4-propyl-chromen-2-one Openeye Name: 7-(benzothiophen-2-yl)-5-hydroxy-4-propyl-chromen-2-one CAS Name: 7-(1-benzothiophen-2-yl)-5-hydroxy-4-propyl-1-benzopyran-2-one IUPAC Name: 7-(1-benzothiophen-2-yl)-5-hydroxy-4-propylchromen-2-one Traditional Name: 7-(benzothiophen-2-yl)-5-hydroxy-4-propyl-coumarin Formula: C20H16O3S MolecularWeight: 336.40424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C3=CC4=CC=CC=C4S3)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C3=CC4=CC=CC=C4S3)O

InChI

InChI=1S/C20H16O3S/c1-2-5-13-11-19(22)23-16-9-14(8-15(21)20(13)16)18-10-12-6-3-4-7-17(12)24-18/h3-4,6-11,21H,2,5H2,1H3