methyl 4-(2-ethanoyl-3-methyl-1-benzothiophen-5-yl)benzoate

Systemtic Name: methyl 4-(2-ethanoyl-3-methyl-1-benzothiophen-5-yl)benzoate Openeye Name: methyl 4-(2-acetyl-3-methyl-benzothiophen-5-yl)benzoate CAS Name: 4-(2-acetyl-3-methyl-1-benzothiophen-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-acetyl-3-methyl-1-benzothiophen-5-yl)benzoate Traditional Name: 4-(2-acetyl-3-methyl-benzothiophen-5-yl)benzoic acid methyl ester Formula: C19H16O3S MolecularWeight: 324.39354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)C

InChI

InChI=1S/C19H16O3S/c1-11-16-10-15(8-9-17(16)23-18(11)12(2)20)13-4-6-14(7-5-13)19(21)22-3/h4-10H,1-3H3