(3E)-3-phenacylidene-2-(thiophen-3-ylmethyl)isoindol-1-one

Systemtic Name: (3E)-3-phenacylidene-2-(thiophen-3-ylmethyl)isoindol-1-one Openeye Name: (3E)-3-phenacylidene-2-(3-thienylmethyl)isoindolin-1-one CAS Name: (3E)-3-phenacylidene-2-(3-thiophenylmethyl)-1-isoindolone IUPAC Name: (3E)-3-phenacylidene-2-(thiophen-3-ylmethyl)isoindol-1-one Traditional Name: (3E)-3-phenacylidene-2-(3-thenyl)isoindolin-1-one Formula: C21H15NO2S MolecularWeight: 345.4143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=C2C3=CC=CC=C3C(=O)N2CC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/2\C3=CC=CC=C3C(=O)N2CC4=CSC=C4

InChI

InChI=1S/C21H15NO2S/c23-20(16-6-2-1-3-7-16)12-19-17-8-4-5-9-18(17)21(24)22(19)13-15-10-11-25-14-15/h1-12,14H,13H2/b19-12+