4-methoxy-3-phenethyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-methoxy-3-phenethyl-1-benzothiophene-2-carboxylic acid Openeye Name: 4-methoxy-3-phenethyl-benzothiophene-2-carboxylic acid CAS Name: 4-methoxy-3-phenethyl-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-methoxy-3-phenethyl-1-benzothiophene-2-carboxylic acid Traditional Name: 4-methoxy-3-phenethyl-benzothiophene-2-carboxylic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=C2CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=C2CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16O3S/c1-21-14-8-5-9-15-16(14)13(17(22-15)18(19)20)11-10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,19,20)