phenacyl 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: phenacyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: phenacyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid phenacyl ester Formula: C18H14O3S MolecularWeight: 310.36696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14O3S/c1-12-14-9-5-6-10-16(14)22-17(12)18(20)21-11-15(19)13-7-3-2-4-8-13/h2-10H,11H2,1H3