2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one

Systemtic Name: 2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one Openeye Name: 2-[(4-isopentyloxy-3-methoxy-phenyl)methylene]benzothiophen-3-one CAS Name: 2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one IUPAC Name: 2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one Traditional Name: 2-(4-isoamoxy-3-methoxy-benzylidene)benzothiophen-3-one Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H22O3S/c1-14(2)10-11-24-17-9-8-15(12-18(17)23-3)13-20-21(22)16-6-4-5-7-19(16)25-20/h4-9,12-14H,10-11H2,1-3H3