2-(1-benzothiophen-3-ylmethyl)pent-4-enoic acid

Systemtic Name: 2-(1-benzothiophen-3-ylmethyl)pent-4-enoic acid Openeye Name: 2-(benzothiophen-3-ylmethyl)pent-4-enoic acid CAS Name: 2-(1-benzothiophen-3-ylmethyl)-4-pentenoic acid IUPAC Name: 2-(1-benzothiophen-3-ylmethyl)pent-4-enoic acid Traditional Name: 2-(benzothiophen-3-ylmethyl)pent-4-enoic acid Formula: C14H14O2S MolecularWeight: 246.32476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CSC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C=CCC(CC1=CSC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H14O2S/c1-2-5-10(14(15)16)8-11-9-17-13-7-4-3-6-12(11)13/h2-4,6-7,9-10H,1,5,8H2,(H,15,16)